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Phenols

Aromatic organic compounds that consist of a phenyl functional group (−C6H5) bonded to a hydroxyl functional group (−OH). Includes compounds with more substitutions and derivatives.
Benzenediols (24)
Cresols (3)

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Keyword Search:
1 – 13 of 13 results
2

Methyl caffeate

CAS: 3843-74-1 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.186 MDL Number: MFCD00210468 InChI Key: OCNYGKNIVPVPPX-HWKANZROSA-N Synonym: methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001 PubChem CID: 689075 ChEBI: CHEBI:6856 IUPAC Name: methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC(=C(C=C1)O)O

PubChem CID 689075
CAS 3843-74-1
Molecular Weight (g/mol) 194.186
ChEBI CHEBI:6856
MDL Number MFCD00210468
SMILES COC(=O)C=CC1=CC(=C(C=C1)O)O
Synonym methyl caffeate,methyl 3-3,4-dihydroxyphenyl acrylate,caffeic acid methyl ester,e-methyl 3-3,4-dihydroxyphenyl acrylate,methylcaffeate,methyl 3,4-dihydroxycinnamate,caffeic acid, methyl ester,unii-n79173b9hf,methyl 2e-3-3,4-dihydroxyphenyl prop-2-enoate,chembl17001
IUPAC Name methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key OCNYGKNIVPVPPX-HWKANZROSA-N
Molecular Formula C10H10O4
3

3,4-Dihydroxycinnamic acid, predominantly trans, 98+%

CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00004392 InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N Synonym: caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid PubChem CID: 689043 ChEBI: CHEBI:16433 IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

PubChem CID 689043
CAS 331-39-5
Molecular Weight (g/mol) 180.159
ChEBI CHEBI:16433
MDL Number MFCD00004392
SMILES C1=CC(=C(C=C1C=CC(=O)O)O)O
Synonym caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid
IUPAC Name (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
InChI Key QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Formula C9H8O4
4

Caffeic Acid, (Yellowish-brown crystals),MP Biomedicals

CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N Synonym: caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid PubChem CID: 689043 ChEBI: CHEBI:16433 IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

PubChem CID 689043
CAS 331-39-5
Molecular Weight (g/mol) 180.159
ChEBI CHEBI:16433
SMILES C1=CC(=C(C=C1C=CC(=O)O)O)O
Synonym caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid
IUPAC Name (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
InChI Key QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Formula C9H8O4
5
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3,4-Dihydroxycinnamic acid, 99+%, predominantly trans isomer

CAS: 331-39-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 InChI Key: QAIPRVGONGVQAS-DUXPYHPUSA-N Synonym: caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid PubChem CID: 689043 ChEBI: CHEBI:16433 IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid SMILES: C1=CC(=C(C=C1C=CC(=O)O)O)O

PubChem CID 689043
CAS 331-39-5
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:16433
SMILES C1=CC(=C(C=C1C=CC(=O)O)O)O
Synonym caffeic acid,3,4-dihydroxycinnamic acid,3-3,4-dihydroxyphenyl acrylic acid,trans-caffeate,3,4-dihydroxy-trans-cinnamate,2e-3-3,4-dihydroxyphenyl prop-2-enoic acid,3,4-dihydroxybenzeneacrylic acid,e-3-3,4-dihydroxyphenyl acrylic acid,trans-caffeic acid,3-3,4-dihydroxyphenyl propenoic acid
IUPAC Name (E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
InChI Key QAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular Formula C9H8O4
7

Phenylethyl 3,4-dihydroxycinnamate, 98+%

CAS: 104594-70-9 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.31 MDL Number: MFCD00866470 InChI Key: SWUARLUWKZWEBQ-VQHVLOKHSA-N Synonym: caffeic acid phenethyl ester,phenethyl caffeate,cape,capeee,phenethyl 3-3,4-dihydroxyphenyl acrylate,phenylethyl caffeate,unii-g960r9s5sk,caffeic acid phenylethyl ester,2-phenylethyl caffeate,caffeic acid 2-phenylethyl ester PubChem CID: 5281787 ChEBI: CHEBI:8062 IUPAC Name: 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: OC1=CC=C(\C=C\C(=O)OCCC2=CC=CC=C2)C=C1O

PubChem CID 5281787
CAS 104594-70-9
Molecular Weight (g/mol) 284.31
ChEBI CHEBI:8062
MDL Number MFCD00866470
SMILES OC1=CC=C(\C=C\C(=O)OCCC2=CC=CC=C2)C=C1O
Synonym caffeic acid phenethyl ester,phenethyl caffeate,cape,capeee,phenethyl 3-3,4-dihydroxyphenyl acrylate,phenylethyl caffeate,unii-g960r9s5sk,caffeic acid phenylethyl ester,2-phenylethyl caffeate,caffeic acid 2-phenylethyl ester
IUPAC Name 2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key SWUARLUWKZWEBQ-VQHVLOKHSA-N
Molecular Formula C17H16O4
8
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2-Methoxy-4-methylphenol, 99%

CAS: 93-51-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002378 InChI Key: PETRWTHZSKVLRE-UHFFFAOYSA-N Synonym: creosol,4-methylguaiacol,2-methoxy-p-cresol,homoguaiacol,p-methylguaiacol,phenol, 2-methoxy-4-methyl,p-creosol,4-methyl guaiacol,2-methoxy-4-cresol,4-hydroxy-3-methoxytoluene PubChem CID: 7144 IUPAC Name: 2-methoxy-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)OC

PubChem CID 7144
CAS 93-51-6
Molecular Weight (g/mol) 138.17
MDL Number MFCD00002378
SMILES CC1=CC(=C(C=C1)O)OC
Synonym creosol,4-methylguaiacol,2-methoxy-p-cresol,homoguaiacol,p-methylguaiacol,phenol, 2-methoxy-4-methyl,p-creosol,4-methyl guaiacol,2-methoxy-4-cresol,4-hydroxy-3-methoxytoluene
IUPAC Name 2-methoxy-4-methylphenol
InChI Key PETRWTHZSKVLRE-UHFFFAOYSA-N
Molecular Formula C8H10O2
9

Rosmarinic Acid, 98.6%, MP Biomedicals™

CAS: 20283-92-5 Molecular Formula: C18H16O8 Molecular Weight (g/mol): 360.318 MDL Number: MFCD00017740 InChI Key: DOUMFZQKYFQNTF-WUTVXBCWSA-N Synonym: rosmarinic acid,rosemary acid,r-rosmarinic acid,unii-mqe6xg29yi,rosmarinate,mqe6xg29yi,labiatenic acid,r-o-3,4-dihydroxycinnamoyl-3-3,4-dihydroxyphenyl lactic acid,3,4-dihydroxycinnamic acid r-1-carboxy-2-3,4-dihydroxyphenyl ethyl ester,2r-3-3,4-dihydroxyphenyl-2-2e-3-3,4-dihydroxyphenyl prop-2-enoyloxy propanoic acid PubChem CID: 5281792 ChEBI: CHEBI:50371 IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid SMILES: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O

PubChem CID 5281792
CAS 20283-92-5
Molecular Weight (g/mol) 360.318
ChEBI CHEBI:50371
MDL Number MFCD00017740
SMILES C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Synonym rosmarinic acid,rosemary acid,r-rosmarinic acid,unii-mqe6xg29yi,rosmarinate,mqe6xg29yi,labiatenic acid,r-o-3,4-dihydroxycinnamoyl-3-3,4-dihydroxyphenyl lactic acid,3,4-dihydroxycinnamic acid r-1-carboxy-2-3,4-dihydroxyphenyl ethyl ester,2r-3-3,4-dihydroxyphenyl-2-2e-3-3,4-dihydroxyphenyl prop-2-enoyloxy propanoic acid
IUPAC Name (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
InChI Key DOUMFZQKYFQNTF-WUTVXBCWSA-N
Molecular Formula C18H16O8
10

L-Noradrenaline, TRC

CAS: 51-41-2 Molecular Formula: C8 H11 N O3 Molecular Weight (g/mol): 169.18 Synonym: 1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-,1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-,Arterenol, l- (6CI),Benzyl alcohol, α-(aminomethyl)-3,4-dihydroxy-, (-)- (8CI),4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol,(-)-Arterenol,(-)-Noradrenaline,(-)-Norepinephrine,(-)-α-(Aminomethyl)protocatechuyl alcohol,(R)-(-)-Norepinephrine,(R)-Noradrenaline,(R)-Norepinephrine,Adrenor,Aktamin,Arterenol,L-Noradrenaline,Levarterenol,Levoarterenol,Levonor,Levonoradrenaline,Levonorepinephrine,Levophed,Nor-Epirenan,Noradrenalin,Noradrenaline,Norartrinal,Norepinephrine,Norepirenamine,Sympathin E,l-1-(3,4-Dihydroxyphenyl)-2-aminoethanol,l-2-Amino-1-(3,4-dihydroxyphenyl)ethanol,l-3,4-Dihydroxyphenylethanolamine,l-Arterenol,l-Noradrenaline,l-Norepinephrine,l-α-(Aminomethyl)-3,4-dihydroxybenzyl alcohol IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol SMILES: NC[C@H](O)c1ccc(O)c(O)c1

CAS 51-41-2
Molecular Weight (g/mol) 169.18
SMILES NC[C@H](O)c1ccc(O)c(O)c1
Synonym 1,2-Benzenediol, 4-[(1R)-2-amino-1-hydroxyethyl]-,1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-, (R)-,Arterenol, l- (6CI),Benzyl alcohol, α-(aminomethyl)-3,4-dihydroxy-, (-)- (8CI),4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol,(-)-Arterenol,(-)-Noradrenaline,(-)-Norepinephrine,(-)-α-(Aminomethyl)protocatechuyl alcohol,(R)-(-)-Norepinephrine,(R)-Noradrenaline,(R)-Norepinephrine,Adrenor,Aktamin,Arterenol,L-Noradrenaline,Levarterenol,Levoarterenol,Levonor,Levonoradrenaline,Levonorepinephrine,Levophed,Nor-Epirenan,Noradrenalin,Noradrenaline,Norartrinal,Norepinephrine,Norepirenamine,Sympathin E,l-1-(3,4-Dihydroxyphenyl)-2-aminoethanol,l-2-Amino-1-(3,4-dihydroxyphenyl)ethanol,l-3,4-Dihydroxyphenylethanolamine,l-Arterenol,l-Noradrenaline,l-Norepinephrine,l-α-(Aminomethyl)-3,4-dihydroxybenzyl alcohol
IUPAC Name 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
Molecular Formula C8 H11 N O3
11

Ethyl 3,4-dihydroxycinnamate, 97%

CAS: 66648-50-8 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00045754 InChI Key: WDKYDMULARNCIS-GQCTYLIASA-N Synonym: ethyl caffeate,ethyl 3-3,4-dihydroxyphenyl acrylate,ethyl 3,4-dihydroxycinnamate,caffeic acid ethyl ester,ethyl trans-caffeate,unii-76gbb1ju5y,e-ethyl 3-3,4-dihydroxyphenyl acrylate,3,4-dihydroxycinnamic acid ethyl ester,76gbb1ju5y,chembl17347 PubChem CID: 5317238 ChEBI: CHEBI:69656 IUPAC Name: ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: CCOC(=O)C=CC1=CC(=C(C=C1)O)O

PubChem CID 5317238
CAS 66648-50-8
Molecular Weight (g/mol) 208.213
ChEBI CHEBI:69656
MDL Number MFCD00045754
SMILES CCOC(=O)C=CC1=CC(=C(C=C1)O)O
Synonym ethyl caffeate,ethyl 3-3,4-dihydroxyphenyl acrylate,ethyl 3,4-dihydroxycinnamate,caffeic acid ethyl ester,ethyl trans-caffeate,unii-76gbb1ju5y,e-ethyl 3-3,4-dihydroxyphenyl acrylate,3,4-dihydroxycinnamic acid ethyl ester,76gbb1ju5y,chembl17347
IUPAC Name ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key WDKYDMULARNCIS-GQCTYLIASA-N
Molecular Formula C11H12O4
12

Tocris Bioscience™ Piceatannol
GREENER_CHOICE

13

2-TEDC, Tocris Bioscience™
GREENER_CHOICE

CAS: 132465-10-2 Molecular Formula: C16H13NO4S Molecular Weight (g/mol): 315.343 InChI Key: KCGLTUBCAGZLHP-XYOKQWHBSA-N Synonym: 2-tedc,chembl37081,tocris-0645,2-thiophen-2-yl ethyl 2-cyano-3-3,4-dihydroxyphenyl prop-2-enoate,e-2-cyano-3-3,4-dihydroxyphenyl acrylic acid 2-2-thienyl ethyl ester,2-cyano-3-3,4-dihydroxy-phenyl-acrylic acid 2-thiophen-2-yl-ethyl ester,2-cyano-3-3,4-dihydroxyphenyl propenoic acid 2-2-thienyl ethyl ester,2-thiophen-2-ylethyl e-2-cyano-3-3,4-dihydroxyphenyl prop-2-enoate,2-propenoic acid,2-cyano-3-3,4-dihydroxyphenyl-,2-2-thienyl ethyl ester, e-9ci PubChem CID: 6069552 IUPAC Name: 2-thiophen-2-ylethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: C1=CSC(=C1)CCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N

PubChem CID 6069552
CAS 132465-10-2
Molecular Weight (g/mol) 315.343
SMILES C1=CSC(=C1)CCOC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N
Synonym 2-tedc,chembl37081,tocris-0645,2-thiophen-2-yl ethyl 2-cyano-3-3,4-dihydroxyphenyl prop-2-enoate,e-2-cyano-3-3,4-dihydroxyphenyl acrylic acid 2-2-thienyl ethyl ester,2-cyano-3-3,4-dihydroxy-phenyl-acrylic acid 2-thiophen-2-yl-ethyl ester,2-cyano-3-3,4-dihydroxyphenyl propenoic acid 2-2-thienyl ethyl ester,2-thiophen-2-ylethyl e-2-cyano-3-3,4-dihydroxyphenyl prop-2-enoate,2-propenoic acid,2-cyano-3-3,4-dihydroxyphenyl-,2-2-thienyl ethyl ester, e-9ci
IUPAC Name 2-thiophen-2-ylethyl (E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key KCGLTUBCAGZLHP-XYOKQWHBSA-N
Molecular Formula C16H13NO4S