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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.
Halophenols (393)
Aminophenols (103)
Cresols (63)
Benzenediols (56)
1-hydroxy-4-unsubstituted benzenoids (33)
1-hydroxy-2-unsubstituted benzenoids (24)
4-alkoxyphenols (22)
Tyrosols and derivatives (13)
Nitrophenols (1)

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1 – 15 of 660 results
1

Nordihydorguaiaretic acid, 99%, For HPLC analysis, MP Biomedicals™

CAS: 500-38-9 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 InChI Key: HCZKYJDFEPMADG-UHFFFAOYSA-N Synonym: nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane PubChem CID: 4534 ChEBI: CHEBI:7625 IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

PubChem CID 4534
CAS 500-38-9
Molecular Weight (g/mol) 302.37
ChEBI CHEBI:7625
SMILES CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
Synonym nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane
IUPAC Name 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
InChI Key HCZKYJDFEPMADG-UHFFFAOYSA-N
Molecular Formula C18H22O4
2

Caffeic Acid 98.0+%, TCI America™

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
3

Calcium Dobesilate Hydrate 98.0+%, TCI America™

CAS: 117552-78-0 Molecular Formula: C12H12CaO11S2 Molecular Weight (g/mol): 436.415 MDL Number: MFCD00867249 InChI Key: JMTQBGBMQZPWCS-UHFFFAOYSA-L Synonym: Calcium 2,5-Dihydroxybenzenesulfonate, 2,5-Dihydroxybenzenesulfonic Acid Calcium Salt PubChem CID: 45358052 IUPAC Name: calcium;2,5-dihydroxybenzenesulfonate;hydrate SMILES: C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.O.[Ca+2]

PubChem CID 45358052
CAS 117552-78-0
Molecular Weight (g/mol) 436.415
MDL Number MFCD00867249
SMILES C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.O.[Ca+2]
Synonym Calcium 2,5-Dihydroxybenzenesulfonate, 2,5-Dihydroxybenzenesulfonic Acid Calcium Salt
IUPAC Name calcium;2,5-dihydroxybenzenesulfonate;hydrate
InChI Key JMTQBGBMQZPWCS-UHFFFAOYSA-L
Molecular Formula C12H12CaO11S2
4

3,4-Dihydroxybenzoic Acid 98.0+%, TCI America™

CAS: 99-50-3 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002509 InChI Key: YQUVCSBJEUQKSH-UHFFFAOYSA-N Synonym: protocatechuic acid,4-carboxy-1,2-dihydroxybenzene,protocatehuic acid,benzoic acid, 3,4-dihydroxy,protocatechuate,4,5-dihydroxybenzoic acid,3,4-dihydroxybenzoicacid,unii-36r5qj8l4b,ccris 6291,chembl37537 PubChem CID: 72 ChEBI: CHEBI:36062 IUPAC Name: 3,4-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)O)O

PubChem CID 72
CAS 99-50-3
Molecular Weight (g/mol) 154.121
ChEBI CHEBI:36062
MDL Number MFCD00002509
SMILES C1=CC(=C(C=C1C(=O)O)O)O
Synonym protocatechuic acid,4-carboxy-1,2-dihydroxybenzene,protocatehuic acid,benzoic acid, 3,4-dihydroxy,protocatechuate,4,5-dihydroxybenzoic acid,3,4-dihydroxybenzoicacid,unii-36r5qj8l4b,ccris 6291,chembl37537
IUPAC Name 3,4-dihydroxybenzoic acid
InChI Key YQUVCSBJEUQKSH-UHFFFAOYSA-N
Molecular Formula C7H6O4
5

2,5-Dihydroxybenzoic Acid Sodium Salt Hydrate 98.0+%, TCI America™

CAS: 4955-90-2 Molecular Formula: C7H5NaO4 Molecular Weight (g/mol): 176.103 MDL Number: MFCD00150273 InChI Key: MOIJZWWOFOQFMH-UHFFFAOYSA-M Synonym: Gentisic Acid Sodium Salt PubChem CID: 23663629 IUPAC Name: sodium;2,5-dihydroxybenzoate SMILES: C1=CC(=C(C=C1O)C(=O)[O-])O.[Na+]

PubChem CID 23663629
CAS 4955-90-2
Molecular Weight (g/mol) 176.103
MDL Number MFCD00150273
SMILES C1=CC(=C(C=C1O)C(=O)[O-])O.[Na+]
Synonym Gentisic Acid Sodium Salt
IUPAC Name sodium;2,5-dihydroxybenzoate
InChI Key MOIJZWWOFOQFMH-UHFFFAOYSA-M
Molecular Formula C7H5NaO4
6

2-(2-Hydroxy-5-methylphenyl)benzotriazole 99.0+%, TCI America™

CAS: 2440-22-4 Molecular Formula: C13H11N3O Molecular Weight (g/mol): 225.251 MDL Number: MFCD00022903 InChI Key: MCPKSFINULVDNX-UHFFFAOYSA-N Synonym: drometrizole,benazol p,tinuvin p,2-2-benzotriazolyl-p-cresol,uv absorber-1,2-2-hydroxy-5-methylphenyl benzotriazole,2-2h-benzotriazol-2-yl-p-cresol,2-2h-benzo d 1,2,3 triazol-2-yl-4-methylphenol,tin p,porex p PubChem CID: 17113 IUPAC Name: 2-(benzotriazol-2-yl)-4-methylphenol SMILES: CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2

PubChem CID 17113
CAS 2440-22-4
Molecular Weight (g/mol) 225.251
MDL Number MFCD00022903
SMILES CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
Synonym drometrizole,benazol p,tinuvin p,2-2-benzotriazolyl-p-cresol,uv absorber-1,2-2-hydroxy-5-methylphenyl benzotriazole,2-2h-benzotriazol-2-yl-p-cresol,2-2h-benzo d 1,2,3 triazol-2-yl-4-methylphenol,tin p,porex p
IUPAC Name 2-(benzotriazol-2-yl)-4-methylphenol
InChI Key MCPKSFINULVDNX-UHFFFAOYSA-N
Molecular Formula C13H11N3O
7

Calix[4]arene (contains ca. 8% Chloroform) 98.0+%, TCI America™

CAS: 74568-07-3 Molecular Formula: C28H24O4 Molecular Weight (g/mol): 424.496 MDL Number: MFCD00143912 InChI Key: YPNHVQZZPXPQOS-UHFFFAOYSA-N Synonym: calix 4 arene,tetrahydroxycalix 4 arene,calix 4 arene 1g,calix 4 arene-25,26,27,28-tetrol,25,26,27,28-tetrahydroxycalix 4 aren,25,26,27,28-tetrahydroxycalix 4 arene,calix 4 arene-25,26,27,28-tetrol, purum hplc PubChem CID: 562409 SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O

PubChem CID 562409
CAS 74568-07-3
Molecular Weight (g/mol) 424.496
MDL Number MFCD00143912
SMILES C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O
Synonym calix 4 arene,tetrahydroxycalix 4 arene,calix 4 arene 1g,calix 4 arene-25,26,27,28-tetrol,25,26,27,28-tetrahydroxycalix 4 aren,25,26,27,28-tetrahydroxycalix 4 arene,calix 4 arene-25,26,27,28-tetrol, purum hplc
InChI Key YPNHVQZZPXPQOS-UHFFFAOYSA-N
Molecular Formula C28H24O4
8

Metoprolol Tartrate 98.0+%, TCI America™

CAS: 56392-17-7 Molecular Formula: C34H56N2O12 Molecular Weight (g/mol): 684.824 MDL Number: MFCD00056257 InChI Key: YGULWPYYGQCFMP-NPHUUBOGSA-N Synonym: y-metoprolol +-tartrate,?-metoprolol +-tartrate,--tartaric acid; bis metoprolol,1-isopropylamino-3-p-beta-methoxyethyl phenoxy-2-propanol +-tartrate salt,1-isopropylamino-3-4-2-methoxyethyl phenoxy propan-2-ol 2,3-dihydroxysuccinate 2 PubChem CID: 11957594 IUPAC Name: (2R,3S)-2,3-dihydroxybutanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O

PubChem CID 11957594
CAS 56392-17-7
Molecular Weight (g/mol) 684.824
MDL Number MFCD00056257
SMILES CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.CC(C)NCC(COC1=CC=C(C=C1)CCOC)O.C(C(C(=O)O)O)(C(=O)O)O
Synonym y-metoprolol +-tartrate,?-metoprolol +-tartrate,--tartaric acid; bis metoprolol,1-isopropylamino-3-p-beta-methoxyethyl phenoxy-2-propanol +-tartrate salt,1-isopropylamino-3-4-2-methoxyethyl phenoxy propan-2-ol 2,3-dihydroxysuccinate 2
IUPAC Name (2R,3S)-2,3-dihydroxybutanedioic acid;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
InChI Key YGULWPYYGQCFMP-NPHUUBOGSA-N
Molecular Formula C34H56N2O12
9

Homogentisic Acid 97.0+%, TCI America™

CAS: 451-13-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00004324 InChI Key: IGMNYECMUMZDDF-UHFFFAOYSA-N Synonym: homogentisic acid,2,5-dihydroxyphenylacetic acid,alcapton,homogentisate acid,homogentisinic acid,2,5-dihydroxyphenyl acetic acid,homogentisate,benzeneacetic acid, 2,5-dihydroxy,2-2,5-dihydroxyphenyl acetic acid,2,5-dihydroxy-alpha-toluic acid PubChem CID: 780 ChEBI: CHEBI:44747 IUPAC Name: 2-(2,5-dihydroxyphenyl)acetic acid SMILES: OC(=O)CC1=CC(O)=CC=C1O

PubChem CID 780
CAS 451-13-8
Molecular Weight (g/mol) 168.15
ChEBI CHEBI:44747
MDL Number MFCD00004324
SMILES OC(=O)CC1=CC(O)=CC=C1O
Synonym homogentisic acid,2,5-dihydroxyphenylacetic acid,alcapton,homogentisate acid,homogentisinic acid,2,5-dihydroxyphenyl acetic acid,homogentisate,benzeneacetic acid, 2,5-dihydroxy,2-2,5-dihydroxyphenyl acetic acid,2,5-dihydroxy-alpha-toluic acid
IUPAC Name 2-(2,5-dihydroxyphenyl)acetic acid
InChI Key IGMNYECMUMZDDF-UHFFFAOYSA-N
Molecular Formula C8H8O4
10

(R)-Phenylephrine Hydrochloride 98.0+%, TCI America™

CAS: 61-76-7 Molecular Formula: C9H14ClNO2 Molecular Weight (g/mol): 203.67 MDL Number: MFCD00012605,MFCD00044749 InChI Key: OCYSGIYOVXAGKQ-UHFFFAOYNA-N Synonym: phenylephrine hydrochloride,phenylephrine hcl,l-phenylephrine hydrochloride,metaoxedrine chloride,neosympatol,synethenate,almefrin,consdrin,emagrin,fenilfar PubChem CID: 5284443 ChEBI: CHEBI:8094 IUPAC Name: hydrogen 3-[1-hydroxy-2-(methylamino)ethyl]phenol chloride SMILES: [H+].[Cl-].CNCC(O)C1=CC=CC(O)=C1

PubChem CID 5284443
CAS 61-76-7
Molecular Weight (g/mol) 203.67
ChEBI CHEBI:8094
MDL Number MFCD00012605,MFCD00044749
SMILES [H+].[Cl-].CNCC(O)C1=CC=CC(O)=C1
Synonym phenylephrine hydrochloride,phenylephrine hcl,l-phenylephrine hydrochloride,metaoxedrine chloride,neosympatol,synethenate,almefrin,consdrin,emagrin,fenilfar
IUPAC Name hydrogen 3-[1-hydroxy-2-(methylamino)ethyl]phenol chloride
InChI Key OCYSGIYOVXAGKQ-UHFFFAOYNA-N
Molecular Formula C9H14ClNO2
11

Amodiaquin Dihydrochloride Dihydrate 98.0+%, TCI America™

CAS: 6398-98-7 Molecular Formula: C20H28Cl3N3O3 Molecular Weight (g/mol): 464.812 MDL Number: MFCD00078857 InChI Key: YVNAYSHNIILOJS-UHFFFAOYSA-N Synonym: amodiaquin dihydrochloride dihydrate,amodiaquine hcl,amodiaquine hydrochloride,amodiaquine dihydrochloride dihydrate,unii-k6pw2s574l,4-7-chloroquinolin-4-yl amino-2-diethylamino methyl phenol dihydrochloride dihydrate,amodiaquine hydrochloride usp,cam-aq 1 PubChem CID: 64646 ChEBI: CHEBI:50652 IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride SMILES: CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl

PubChem CID 64646
CAS 6398-98-7
Molecular Weight (g/mol) 464.812
ChEBI CHEBI:50652
MDL Number MFCD00078857
SMILES CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl
Synonym amodiaquin dihydrochloride dihydrate,amodiaquine hcl,amodiaquine hydrochloride,amodiaquine dihydrochloride dihydrate,unii-k6pw2s574l,4-7-chloroquinolin-4-yl amino-2-diethylamino methyl phenol dihydrochloride dihydrate,amodiaquine hydrochloride usp,cam-aq 1
IUPAC Name 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride
InChI Key YVNAYSHNIILOJS-UHFFFAOYSA-N
Molecular Formula C20H28Cl3N3O3
12

Phenethyl Caffeate 98.0+%, TCI America™

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 (2E)-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 (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key SWUARLUWKZWEBQ-VQHVLOKHSA-N
Molecular Formula C17H16O4
13

Nordihydroguaiaretic Acid 97.0+%, TCI America™

CAS: 500-38-9 Molecular Formula: C18H22O4 Molecular Weight (g/mol): 302.37 MDL Number: MFCD00002206 InChI Key: HCZKYJDFEPMADG-UHFFFAOYSA-N Synonym: nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane PubChem CID: 4534 ChEBI: CHEBI:7625 IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

PubChem CID 4534
CAS 500-38-9
Molecular Weight (g/mol) 302.37
ChEBI CHEBI:7625
MDL Number MFCD00002206
SMILES CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O
Synonym nordihydroguaiaretic acid,ndga,dihydronorguaiaretic acid,norhydroguaiaretic acid,nordihydroguairaretic acid,norguaiaretic acid, dihydro,1,2-benzenediol, 4,4'-2,3-dimethyl-1,4-butanediyl bis,dinorguaiaretic acid, dihydro,4,4'-2,3-dimethyltetramethylene dipyrocatechol,2,3-bis 3,4-dihydroxyphenylmethyl butane
IUPAC Name 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
InChI Key HCZKYJDFEPMADG-UHFFFAOYSA-N
Molecular Formula C18H22O4
14

Betaxolol Hydrochloride 98.0+%, TCI America™

CAS: 63659-19-8 Molecular Formula: C18H30ClNO3 Molecular Weight (g/mol): 343.892 MDL Number: MFCD00242959 InChI Key: CHDPSNLJFOQTRK-UHFFFAOYSA-N Synonym: betaxolol hydrochloride,betaxolol hcl,betoptima,kerlone,betoptic,kerlon,lokren,betaxolo hydrochloride,betoptic s PubChem CID: 107952 ChEBI: CHEBI:643228 IUPAC Name: 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride SMILES: CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl

PubChem CID 107952
CAS 63659-19-8
Molecular Weight (g/mol) 343.892
ChEBI CHEBI:643228
MDL Number MFCD00242959
SMILES CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O.Cl
Synonym betaxolol hydrochloride,betaxolol hcl,betoptima,kerlone,betoptic,kerlon,lokren,betaxolo hydrochloride,betoptic s
IUPAC Name 1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
InChI Key CHDPSNLJFOQTRK-UHFFFAOYSA-N
Molecular Formula C18H30ClNO3
15

Verbascoside 97.0+%, TCI America™

CAS: 61276-17-3 Molecular Formula: C29H36O15 Molecular Weight (g/mol): 624.59 MDL Number: MFCD00221751,MFCD00221751 InChI Key: FBSKJMQYURKNSU-ZLSOWSIRSA-N Synonym: Acteoside, Kusaginin, 2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside PubChem CID: 45358104 IUPAC Name: (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO)[C@H]2OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O

PubChem CID 45358104
CAS 61276-17-3
Molecular Weight (g/mol) 624.59
MDL Number MFCD00221751,MFCD00221751
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC=C(O)C(O)=C3)O[C@H](CO)[C@H]2OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@H](O)[C@H](O)[C@H]1O
Synonym Acteoside, Kusaginin, 2-(3,4-Dihydroxyphenyl)ethyl 3-O-(6-Deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside
IUPAC Name (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChI Key FBSKJMQYURKNSU-ZLSOWSIRSA-N
Molecular Formula C29H36O15