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Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.
Acetophenones (2)
Alkyldimethylbenzylammonium halides (2)
Aniline and substituted anilines (2)
Benzamides (2)
Benzenesulfonamides (18)
Benzenesulfonyl compounds (2)
Benzoic acid esters (16)
Benzoic acids (8)
Benzophenones (11)
Benzoyl derivatives (43)
Biphenols (2)
Biphenyls and derivatives (3)
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Phenylpropylamines (7)
Phthalic acid and derivatives (3)
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Benzyl Derivatives (9)

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1 – 15 of 206 results
1

Cinnamaldoxime, (E)+(Z), 98%

CAS: 13372-81-1 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00019969 InChI Key: RUQDOYIAKHIMAN-DAAQNPAKSA-N Synonym: cinnamaldehyde oxime,3-phenylacrylaldehyde oxime,phenylacrylaldehyde oxime,e-n-2e-3-phenylprop-2-en-1-ylidene hydroxylamine,n-hydroxy-3-phenylprop-2-en-1-imine,n-3-phenylprop-2-en-1-ylidene hydroxylamine,3-phenylpropenal oxime,benzeneacrylaldehydeoxime,3-phenyl-2-propenal oxime,cinnamaldoxime, e + z PubChem CID: 9561350 IUPAC Name: (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine SMILES: O\N=C\C=C\C1=CC=CC=C1

PubChem CID 9561350
CAS 13372-81-1
Molecular Weight (g/mol) 147.18
MDL Number MFCD00019969
SMILES O\N=C\C=C\C1=CC=CC=C1
Synonym cinnamaldehyde oxime,3-phenylacrylaldehyde oxime,phenylacrylaldehyde oxime,e-n-2e-3-phenylprop-2-en-1-ylidene hydroxylamine,n-hydroxy-3-phenylprop-2-en-1-imine,n-3-phenylprop-2-en-1-ylidene hydroxylamine,3-phenylpropenal oxime,benzeneacrylaldehydeoxime,3-phenyl-2-propenal oxime,cinnamaldoxime, e + z
IUPAC Name (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine
InChI Key RUQDOYIAKHIMAN-DAAQNPAKSA-N
Molecular Formula C9H9NO
2

(E)-alpha-Methylstilbene, 98%

CAS: 833-81-8 Molecular Formula: C15H14 Molecular Weight (g/mol): 194.277 MDL Number: MFCD00026343 InChI Key: OVZXISBUYCEVEV-OUKQBFOZSA-N Synonym: 1,2-diphenylpropene,e-alpha-methylstilbene,.alpha.-methylstilbene,1,2-diphenyl-1-propene,1-methyl-1,2-diphenylethene,stilbene, .alpha.-methyl,1-propene, 1,2-diphenyl,1-methyl-2-phenylvinyl benzene,trans-alpha-methylstilbene,chembl14773 PubChem CID: 1549166 IUPAC Name: [(E)-1-phenylprop-1-en-2-yl]benzene SMILES: CC(=CC1=CC=CC=C1)C2=CC=CC=C2

PubChem CID 1549166
CAS 833-81-8
Molecular Weight (g/mol) 194.277
MDL Number MFCD00026343
SMILES CC(=CC1=CC=CC=C1)C2=CC=CC=C2
Synonym 1,2-diphenylpropene,e-alpha-methylstilbene,.alpha.-methylstilbene,1,2-diphenyl-1-propene,1-methyl-1,2-diphenylethene,stilbene, .alpha.-methyl,1-propene, 1,2-diphenyl,1-methyl-2-phenylvinyl benzene,trans-alpha-methylstilbene,chembl14773
IUPAC Name [(E)-1-phenylprop-1-en-2-yl]benzene
InChI Key OVZXISBUYCEVEV-OUKQBFOZSA-N
Molecular Formula C15H14
3

2-Phenyl-2-pentenal, (E)+(Z), 90+%

CAS: 3491-63-2 Molecular Formula: C11H12O Molecular Weight (g/mol): 160.216 MDL Number: MFCD00051835 InChI Key: YPAJRUMMODCONM-IZZDOVSWSA-N Synonym: 2-phenyl-2-pentenal,2z-2-phenylpent-2-enal PubChem CID: 15310469 IUPAC Name: (Z)-2-phenylpent-2-enal SMILES: CCC=C(C=O)C1=CC=CC=C1

PubChem CID 15310469
CAS 3491-63-2
Molecular Weight (g/mol) 160.216
MDL Number MFCD00051835
SMILES CCC=C(C=O)C1=CC=CC=C1
Synonym 2-phenyl-2-pentenal,2z-2-phenylpent-2-enal
IUPAC Name (Z)-2-phenylpent-2-enal
InChI Key YPAJRUMMODCONM-IZZDOVSWSA-N
Molecular Formula C11H12O
4

2-Phenyl-2-butenal, (E)+(Z), 97%

CAS: 4411-89-6 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.19 MDL Number: MFCD00053158 InChI Key: DYAOGZLLMZQVHY-MBXJOHMKSA-N Synonym: 2-phenyl-2-butenal,2-phenylcrotonaldehyde,2-phenylbutenal,alpha-phenylcrotonaldehyde,unii-n8emo6yrv9,e-2-phenylbut-2-enal,2-butenal, 2-phenyl,alpha-ethylidenebenzeneacetaldehyde,n8emo6yrv9,e-2-phenyl-2-butenal PubChem CID: 6429333 IUPAC Name: (E)-2-phenylbut-2-enal SMILES: C\C=C(\C=O)C1=CC=CC=C1

PubChem CID 6429333
CAS 4411-89-6
Molecular Weight (g/mol) 146.19
MDL Number MFCD00053158
SMILES C\C=C(\C=O)C1=CC=CC=C1
Synonym 2-phenyl-2-butenal,2-phenylcrotonaldehyde,2-phenylbutenal,alpha-phenylcrotonaldehyde,unii-n8emo6yrv9,e-2-phenylbut-2-enal,2-butenal, 2-phenyl,alpha-ethylidenebenzeneacetaldehyde,n8emo6yrv9,e-2-phenyl-2-butenal
IUPAC Name (E)-2-phenylbut-2-enal
InChI Key DYAOGZLLMZQVHY-MBXJOHMKSA-N
Molecular Formula C10H10O
5

Bisphenol E, TRC

CAS: 2081-08-5 Molecular Formula: C14 H14 O2 Molecular Weight (g/mol): 214.26 Synonym: Phenol, 4,4'-ethylidenedi- (6CI,7CI,8CI),4,4'-Ethylidenebis[phenol],1,1-Bis(4-hydroxyphenyl)ethane,4,4'-Ethylidenediphenol,Bisphenol AD,Bisphenol E IUPAC Name: 4-[1-(4-hydroxyphenyl)ethyl]phenol SMILES: CC(c1ccc(O)cc1)c2ccc(O)cc2

CAS 2081-08-5
Molecular Weight (g/mol) 214.26
SMILES CC(c1ccc(O)cc1)c2ccc(O)cc2
Synonym Phenol, 4,4'-ethylidenedi- (6CI,7CI,8CI),4,4'-Ethylidenebis[phenol],1,1-Bis(4-hydroxyphenyl)ethane,4,4'-Ethylidenediphenol,Bisphenol AD,Bisphenol E
IUPAC Name 4-[1-(4-hydroxyphenyl)ethyl]phenol
Molecular Formula C14 H14 O2
6

(E)-Fluvoxamine Maleate, TRC

CAS: 61718-82-9 Molecular Formula: C15 H21 F3 N2 O2 . C4 H4 O4 Molecular Weight (g/mol): 434.41 Synonym: Fluvoxamine maleate,2-[[[(1E)-5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethanamine (Z)-butenedioate,1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-, (2Z)-2-butenedioate (1:1) (9CI, ACI),1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (E)-, (Z)-2-butenedioate (1:1) (ZCI),Avoksin,Avoxin,Depromel,DU 23000,Dumirox,Faverin,Faverin 50,Faverine,Fevarin,Floxyfral,Luvox,Maveral,MK 264,NSC 309469 IUPAC Name: (Z)-but-2-enedioic acid;2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine SMILES: COCCCC\C(=N/OCCN)\c1ccc(cc1)C(F)(F)F.OC(=O)\C=C/C(=O)O

CAS 61718-82-9
Molecular Weight (g/mol) 434.41
SMILES COCCCC\C(=N/OCCN)\c1ccc(cc1)C(F)(F)F.OC(=O)\C=C/C(=O)O
Synonym Fluvoxamine maleate,2-[[[(1E)-5-Methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxy]ethanamine (Z)-butenedioate,1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (1E)-, (2Z)-2-butenedioate (1:1) (9CI, ACI),1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-, O-(2-aminoethyl)oxime, (E)-, (Z)-2-butenedioate (1:1) (ZCI),Avoksin,Avoxin,Depromel,DU 23000,Dumirox,Faverin,Faverin 50,Faverine,Fevarin,Floxyfral,Luvox,Maveral,MK 264,NSC 309469
IUPAC Name (Z)-but-2-enedioic acid;2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
Molecular Formula C15 H21 F3 N2 O2 . C4 H4 O4
7

(E)-N-Methylcinnamylamine Hydrochloride, TRC

CAS: 116939-14-1 Molecular Formula: C10H14ClN Molecular Weight (g/mol): 183.68 Synonym: Methyl[(2E)-3-phenylprop-2-en-1-yl]amine hydrochloride IUPAC Name: (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride SMILES: Cl.CNC\C=C\c1ccccc1

CAS 116939-14-1
Molecular Weight (g/mol) 183.68
SMILES Cl.CNC\C=C\c1ccccc1
Synonym Methyl[(2E)-3-phenylprop-2-en-1-yl]amine hydrochloride
IUPAC Name (E)-N-methyl-3-phenylprop-2-en-1-amine;hydrochloride
Molecular Formula C10H14ClN
8

(E)-1-Phenyl-1-butene, TRC

CAS: 1005-64-7 Molecular Formula: C10 H12 Molecular Weight (g/mol): 132.2 Synonym: (1E)-1-Buten-1-ylbenzene (ACI),1-Butene, 1-phenyl-, (E)- (8CI),Benzene, (1E)-1-butenyl- (9CI),Benzene, 1-butenyl-, (E)- (ZCI),(E)-1-Phenyl-1-butene,(E)-But-1-en-1-ylbenzene,(E)-But-1-en-1-ylbenzene,trans-1-Phenyl-1-butene,trans-β-Ethylstyrene,(E)-1-Phenyl-1-butene IUPAC Name: [(E)-but-1-enyl]benzene SMILES: CC\C=C\c1ccccc1

CAS 1005-64-7
Molecular Weight (g/mol) 132.2
SMILES CC\C=C\c1ccccc1
Synonym (1E)-1-Buten-1-ylbenzene (ACI),1-Butene, 1-phenyl-, (E)- (8CI),Benzene, (1E)-1-butenyl- (9CI),Benzene, 1-butenyl-, (E)- (ZCI),(E)-1-Phenyl-1-butene,(E)-But-1-en-1-ylbenzene,(E)-But-1-en-1-ylbenzene,trans-1-Phenyl-1-butene,trans-β-Ethylstyrene,(E)-1-Phenyl-1-butene
IUPAC Name [(E)-but-1-enyl]benzene
Molecular Formula C10 H12
10

4,4'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis-benzeneacetamide (Atenolol Impurity E), TRC

CAS: 141650-31-9 Molecular Formula: C19 H22 N2 O5 Molecular Weight (g/mol): 358.39 Synonym: 2,2'-[(2-Hydroxypropane-1,3-diyl)bis(oxy-4,1-phenylene)]diacetamide,Atenolol Imp. E (EP),Benzeneacetamide, 4,4'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis-,4,4'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis[benzeneacetamide] IUPAC Name: 2-[4-[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropoxy]phenyl]acetamide SMILES: NC(=O)Cc1ccc(OCC(O)COc2ccc(CC(=O)N)cc2)cc1

CAS 141650-31-9
Molecular Weight (g/mol) 358.39
SMILES NC(=O)Cc1ccc(OCC(O)COc2ccc(CC(=O)N)cc2)cc1
Synonym 2,2'-[(2-Hydroxypropane-1,3-diyl)bis(oxy-4,1-phenylene)]diacetamide,Atenolol Imp. E (EP),Benzeneacetamide, 4,4'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis-,4,4'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis[benzeneacetamide]
IUPAC Name 2-[4-[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropoxy]phenyl]acetamide
Molecular Formula C19 H22 N2 O5
11

E 2012, MedChemExpress

MedChemExpress E 2012 is a potent gamma (γ) secretase modulator without affecting Notch processing. E 2012 inhibits 3β-hydroxysterol δ24-reductase (DHCR24) at the final step in the cholesterol biosynthesis. E 2012 aims at Alzheimer's disease by reduction of amyloid β-42, and induces cataract following repeated doses in the rat.

ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 419.49
Color Light Yellow
Physical Form Solid
Chemical Name or Material E 2012
Grade Research
SMILES O=C(N([C@H](C1=CC=C(C=C1)F)C)CCC/2)C2=C\C3=CC=C(N4C=NC(C)=C4)C(OC)=C3
For Use With (Application) Neuroscience-Neurodegeneration
Percent Purity 97.39%
CAS 870843-42-8
Solubility Information DMSO : ≥ 50 mg/mL (119.19 mM)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C25H26FN3O2
Formula Weight 419.49
12

E-7386, MedChemExpress

MedChemExpress E-7386 is an orally active CBP/beta-catenin modulator.

ENCOMPASS ENCOMPASS_PREFERRED
Molecular Weight (g/mol) 725.85
Color Off-White
Physical Form Solid
Chemical Name or Material E-7386
Grade Research
SMILES O=C(N([C@](CN1CC2=NC(N3CC(N4CCN(CC)CC4)C3)=CC=C2)([H])N5[C@@H](CC6=CC=C(O)C=C6F)C1=O)N(CC=C)CC5=O)NCC7=CC=CC=C7
For Use With (Application) Cancer-programmed cell death
Percent Purity 98.34%
CAS 1799824-08-0
Solubility Information DMSO : 125 mg/mL (172.21 mM; Need ultrasonic)
Purity Grade Notes Research
Recommended Storage Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Shelf Life Powder -20°C 3 years, 4°C 2 years∣In solvent -80°C 6 months, -20°C 1 month
Molecular Formula C39H48FN9O4
Formula Weight 725.85
13
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Ethyl 4-hydroxybenzoate, 99%

CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O

EDGE
PubChem CID 8434
CAS 120-47-8
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:86616
MDL Number MFCD00002353
SMILES CCOC(=O)C1=CC=C(C=C1)O
Synonym ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e
IUPAC Name ethyl 4-hydroxybenzoate
InChI Key NUVBSKCKDOMJSU-UHFFFAOYSA-N
Molecular Formula C9H10O3
14
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Diethyl phthalate, 99%

CAS: 84-66-2 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009111 InChI Key: FLKPEMZONWLCSK-UHFFFAOYSA-N Synonym: diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e PubChem CID: 6781 ChEBI: CHEBI:34698 IUPAC Name: diethyl benzene-1,2-dicarboxylate SMILES: CCOC(=O)C1=CC=CC=C1C(=O)OCC

EDGE
PubChem CID 6781
CAS 84-66-2
Molecular Weight (g/mol) 222.24
ChEBI CHEBI:34698
MDL Number MFCD00009111
SMILES CCOC(=O)C1=CC=CC=C1C(=O)OCC
Synonym diethyl phthalate,phthalic acid diethyl ester,ethyl phthalate,anozol,neantine,phthalol,solvanol,diethyl o-phthalate,palatinol a,placidol e
IUPAC Name diethyl benzene-1,2-dicarboxylate
InChI Key FLKPEMZONWLCSK-UHFFFAOYSA-N
Molecular Formula C12H14O4
15
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trans-Anethole, 99%

CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC

EDGE
PubChem CID 637563
CAS 4180-23-8
Molecular Weight (g/mol) 148.2
ChEBI CHEBI:35616
MDL Number MFCD00009284
SMILES CC=CC1=CC=C(C=C1)OC
Synonym anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole
IUPAC Name 1-methoxy-4-[(E)-prop-1-enyl]benzene
InChI Key RUVINXPYWBROJD-ONEGZZNKSA-N
Molecular Formula C10H12O