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1-hydroxy-2-unsubstituted benzenoids

Aromatic organic compounds that contain a hydroxyl functional group (R-OH, where each R is a benzene ring) with no substituents in the adjacent carbon, or the second position, in the benzene ring.
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1
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4-Acetamidophenol, 98%

CAS: 103-90-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00002328 InChI Key: RZVAJINKPMORJF-UHFFFAOYSA-N Synonym: acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol PubChem CID: 1983 ChEBI: CHEBI:46195 IUPAC Name: N-(4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C=C1

PubChem CID 1983
CAS 103-90-2
Molecular Weight (g/mol) 151.17
ChEBI CHEBI:46195
MDL Number MFCD00002328
SMILES CC(=O)NC1=CC=C(O)C=C1
Synonym acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol
IUPAC Name N-(4-hydroxyphenyl)acetamide
InChI Key RZVAJINKPMORJF-UHFFFAOYSA-N
Molecular Formula C8H9NO2
2
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4-Nitrophenol, 99%

CAS: 100-02-7 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00007331 InChI Key: BTJIUGUIPKRLHP-UHFFFAOYSA-N Synonym: p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo PubChem CID: 980 ChEBI: CHEBI:16836 IUPAC Name: 4-nitrophenol SMILES: OC1=CC=C(C=C1)[N+]([O-])=O

PubChem CID 980
CAS 100-02-7
Molecular Weight (g/mol) 139.11
ChEBI CHEBI:16836
MDL Number MFCD00007331
SMILES OC1=CC=C(C=C1)[N+]([O-])=O
Synonym p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo
IUPAC Name 4-nitrophenol
InChI Key BTJIUGUIPKRLHP-UHFFFAOYSA-N
Molecular Formula C6H5NO3
3
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4-Phenylphenol, 97%

CAS: 92-69-3 Molecular Formula: C12H10O Molecular Weight (g/mol): 170.21 MDL Number: MFCD00002347 InChI Key: YXVFYQXJAXKLAK-UHFFFAOYSA-N Synonym: 4-hydroxybiphenyl,1,1'-biphenyl-4-ol,biphenyl-4-ol,p-phenylphenol,4-biphenylol,p-hydroxybiphenyl,4-hydroxydiphenyl,p-hydroxydiphenyl,p-biphenylol,4-diphenylol PubChem CID: 7103 ChEBI: CHEBI:34422 IUPAC Name: 4-phenylphenol SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)O

PubChem CID 7103
CAS 92-69-3
Molecular Weight (g/mol) 170.21
ChEBI CHEBI:34422
MDL Number MFCD00002347
SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)O
Synonym 4-hydroxybiphenyl,1,1'-biphenyl-4-ol,biphenyl-4-ol,p-phenylphenol,4-biphenylol,p-hydroxybiphenyl,4-hydroxydiphenyl,p-hydroxydiphenyl,p-biphenylol,4-diphenylol
IUPAC Name 4-phenylphenol
InChI Key YXVFYQXJAXKLAK-UHFFFAOYSA-N
Molecular Formula C12H10O
4
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4-(4-Hydroxyphenyl)-2-butanone, 99+%

CAS: 5471-51-2 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.2 MDL Number: MFCD00002394 InChI Key: NJGBTKGETPDVIK-UHFFFAOYSA-N Synonym: 4-4-hydroxyphenyl-2-butanone,raspberry ketone,4-4-hydroxyphenyl butan-2-one,frambinone,oxyphenalon,rheosmin,4-p-hydroxyphenyl-2-butanone,4-hydroxybenzylacetone,betuligenol,rasketone PubChem CID: 21648 ChEBI: CHEBI:68656 IUPAC Name: 4-(4-hydroxyphenyl)butan-2-one SMILES: CC(=O)CCC1=CC=C(C=C1)O

PubChem CID 21648
CAS 5471-51-2
Molecular Weight (g/mol) 164.2
ChEBI CHEBI:68656
MDL Number MFCD00002394
SMILES CC(=O)CCC1=CC=C(C=C1)O
Synonym 4-4-hydroxyphenyl-2-butanone,raspberry ketone,4-4-hydroxyphenyl butan-2-one,frambinone,oxyphenalon,rheosmin,4-p-hydroxyphenyl-2-butanone,4-hydroxybenzylacetone,betuligenol,rasketone
IUPAC Name 4-(4-hydroxyphenyl)butan-2-one
InChI Key NJGBTKGETPDVIK-UHFFFAOYSA-N
Molecular Formula C10H12O2
5
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4-Hydroxyphthalic acid, 98%

CAS: 610-35-5 Molecular Formula: C8H6O5 Molecular Weight (g/mol): 182.13 InChI Key: MWRVRCAFWBBXTL-UHFFFAOYSA-N Synonym: 1,2-benzenedicarboxylic acid, 4-hydroxy,4-hydroxybenzene-1,2-dicarboxylic acid,4-hydroxy-1,2-benzenedicarboxylic acid,3,4-dicarboxyphenol,4-hydroxy-phthalic acid,acmc-1avol,ksc357m7h,4-hydroxyphthalic acid,4-hydroxy-1,2-benzenedicarboxylicacid,1,2-benzenedicarboxylicacid, 4-hydroxy PubChem CID: 11881 ChEBI: CHEBI:27600 IUPAC Name: 4-hydroxyphthalic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)C(=O)O

PubChem CID 11881
CAS 610-35-5
Molecular Weight (g/mol) 182.13
ChEBI CHEBI:27600
SMILES C1=CC(=C(C=C1O)C(=O)O)C(=O)O
Synonym 1,2-benzenedicarboxylic acid, 4-hydroxy,4-hydroxybenzene-1,2-dicarboxylic acid,4-hydroxy-1,2-benzenedicarboxylic acid,3,4-dicarboxyphenol,4-hydroxy-phthalic acid,acmc-1avol,ksc357m7h,4-hydroxyphthalic acid,4-hydroxy-1,2-benzenedicarboxylicacid,1,2-benzenedicarboxylicacid, 4-hydroxy
IUPAC Name 4-hydroxyphthalic acid
InChI Key MWRVRCAFWBBXTL-UHFFFAOYSA-N
Molecular Formula C8H6O5
6

TraceCERT™ EPA 606-M Phthalate Esters Mix, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

7
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4-Hydroxybenzeneboronic acid pinacol ester, 97%

CAS: 269409-70-3 Molecular Formula: C12H17BO3 Molecular Weight (g/mol): 220.075 MDL Number: MFCD02093756 InChI Key: BICZJRAGTCRORZ-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,4-hydroxyphenylboronic acid pinacol ester,4-hydroxyphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,4-hydroxyphenylboronic acid pinacolate,2-4-hydroxyphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-hydroxyphenylboronicacidpinacolester,4-hydroxybenzeneboronic acid pinacol ester,phenol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-hydroxyphenylboronic acid pinacol cyclic ester PubChem CID: 2734624 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O

PubChem CID 2734624
CAS 269409-70-3
Molecular Weight (g/mol) 220.075
MDL Number MFCD02093756
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O
Synonym 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,4-hydroxyphenylboronic acid pinacol ester,4-hydroxyphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl phenol,4-hydroxyphenylboronic acid pinacolate,2-4-hydroxyphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-hydroxyphenylboronicacidpinacolester,4-hydroxybenzeneboronic acid pinacol ester,phenol, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-hydroxyphenylboronic acid pinacol cyclic ester
IUPAC Name 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
InChI Key BICZJRAGTCRORZ-UHFFFAOYSA-N
Molecular Formula C12H17BO3
8
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D-delta-Tocopherol, 93%

CAS: 119-13-1 Molecular Formula: C27H46O2 Molecular Weight (g/mol): 402.66 MDL Number: MFCD20486794 InChI Key: GZIFEOYASATJEH-VHFRWLAGSA-N Synonym: delta-tocopherol,unii-r0zb2556p8 component,unii-zl0rfa4e5n component,s-2,8-dimethyl-2-4s,8s-4,8,12-trimethyltridecyl-3,4-dihydro-2h-1-benzopyran-6-ol,2s-2,8-dimethyl-2-4s,8s-4,8,12-trimethyltridecyl-3,4-dihydro-1-benzopyran-6-ol,2h-1-benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-4r,8r-4,8,12-trimethyltridecyl-, 2r PubChem CID: 12444418 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=CC(O)=CC(C)=C2O1

PubChem CID 12444418
CAS 119-13-1
Molecular Weight (g/mol) 402.66
MDL Number MFCD20486794
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=CC(O)=CC(C)=C2O1
Synonym delta-tocopherol,unii-r0zb2556p8 component,unii-zl0rfa4e5n component,s-2,8-dimethyl-2-4s,8s-4,8,12-trimethyltridecyl-3,4-dihydro-2h-1-benzopyran-6-ol,2s-2,8-dimethyl-2-4s,8s-4,8,12-trimethyltridecyl-3,4-dihydro-1-benzopyran-6-ol,2h-1-benzopyran-6-ol,3,4-dihydro-2,8-dimethyl-2-4r,8r-4,8,12-trimethyltridecyl-, 2r
InChI Key GZIFEOYASATJEH-VHFRWLAGSA-N
Molecular Formula C27H46O2
9
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D-gamma-Tocopherol, 95%

CAS: 54-28-4 Molecular Formula: C28H48O2 Molecular Weight (g/mol): 416.69 MDL Number: MFCD00066529 InChI Key: QUEDXNHFTDJVIY-DQCZWYHMSA-N Synonym: gamma-tocopherol,+-gamma-tocopherol,d-gamma-tocopherol,7,8-dimethyltocol,unii-8ef1z1238f,rrr-gamma-tocopherol,r,r,r-gamma-tocopherol,2r-2,7,8-trimethyl-2-4r,8r-4,8,12-trimethyltridecyl chroman-6-ol,2r-2,7,8-trimethyl-2-4r,8r-4,8,12-trimethyltridecyl-3,4-dihydro-2h-chromen-6-ol,2r-3,4-dihydro-2,7,8-trimethyl-2-4r,8r-4,8,12-trimethyltridecyl-2h-1-benzopyran-6-ol PubChem CID: 92729 ChEBI: CHEBI:18185 IUPAC Name: (2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol SMILES: CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O

PubChem CID 92729
CAS 54-28-4
Molecular Weight (g/mol) 416.69
ChEBI CHEBI:18185
MDL Number MFCD00066529
SMILES CC1=C(C=C2CCC(OC2=C1C)(C)CCCC(C)CCCC(C)CCCC(C)C)O
Synonym gamma-tocopherol,+-gamma-tocopherol,d-gamma-tocopherol,7,8-dimethyltocol,unii-8ef1z1238f,rrr-gamma-tocopherol,r,r,r-gamma-tocopherol,2r-2,7,8-trimethyl-2-4r,8r-4,8,12-trimethyltridecyl chroman-6-ol,2r-2,7,8-trimethyl-2-4r,8r-4,8,12-trimethyltridecyl-3,4-dihydro-2h-chromen-6-ol,2r-3,4-dihydro-2,7,8-trimethyl-2-4r,8r-4,8,12-trimethyltridecyl-2h-1-benzopyran-6-ol
IUPAC Name (2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-ol
InChI Key QUEDXNHFTDJVIY-DQCZWYHMSA-N
Molecular Formula C28H48O2
10
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Ethyl 4-hydroxyphenylacetate, 98%

CAS: 17138-28-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016491 InChI Key: HYUPPKVFCGIMDB-UHFFFAOYSA-N Synonym: ethyl 4-hydroxyphenylacetate,ethyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid ethyl ester,benzeneacetic acid, 4-hydroxy-, ethyl ester,ethyl 4-hydroxyphenyl acetate,p-hydroxyphenyl acetic acid ethyl ester,ethyl p-hydroxyphenyl acetate,ethyl-4-hydroxyphenylacetate,pubchem12861,acetic acid, p-hydroxyphenyl-, ethyl ester PubChem CID: 28310 IUPAC Name: ethyl 2-(4-hydroxyphenyl)acetate SMILES: CCOC(=O)CC1=CC=C(O)C=C1

PubChem CID 28310
CAS 17138-28-2
Molecular Weight (g/mol) 180.20
MDL Number MFCD00016491
SMILES CCOC(=O)CC1=CC=C(O)C=C1
Synonym ethyl 4-hydroxyphenylacetate,ethyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid ethyl ester,benzeneacetic acid, 4-hydroxy-, ethyl ester,ethyl 4-hydroxyphenyl acetate,p-hydroxyphenyl acetic acid ethyl ester,ethyl p-hydroxyphenyl acetate,ethyl-4-hydroxyphenylacetate,pubchem12861,acetic acid, p-hydroxyphenyl-, ethyl ester
IUPAC Name ethyl 2-(4-hydroxyphenyl)acetate
InChI Key HYUPPKVFCGIMDB-UHFFFAOYSA-N
Molecular Formula C10H12O3
11
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4-n-Octylphenol, 99%

CAS: 1806-26-4 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.33 MDL Number: MFCD00036134 InChI Key: NTDQQZYCCIDJRK-UHFFFAOYSA-N Synonym: 4-n-octylphenol,phenol, 4-octyl,p-octylphenol,phenol, p-octyl,1-p-hydroxyphenyl octane,para-octylphenol,unii-7df2b8lh3p,4-octyl-phenol,7df2b8lh3p,phenol, octenylated PubChem CID: 15730 ChEBI: CHEBI:34432 IUPAC Name: 4-octylphenol SMILES: CCCCCCCCC1=CC=C(O)C=C1

PubChem CID 15730
CAS 1806-26-4
Molecular Weight (g/mol) 206.33
ChEBI CHEBI:34432
MDL Number MFCD00036134
SMILES CCCCCCCCC1=CC=C(O)C=C1
Synonym 4-n-octylphenol,phenol, 4-octyl,p-octylphenol,phenol, p-octyl,1-p-hydroxyphenyl octane,para-octylphenol,unii-7df2b8lh3p,4-octyl-phenol,7df2b8lh3p,phenol, octenylated
IUPAC Name 4-octylphenol
InChI Key NTDQQZYCCIDJRK-UHFFFAOYSA-N
Molecular Formula C14H22O
12
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7-Hydroxyisoquinoline, 97%, Thermo Scientific Chemicals

CAS: 7651-83-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00456131 InChI Key: WCRKBMABEPCYII-UHFFFAOYSA-N Synonym: 7-hydroxyisoquinoline,7-isoquinolinol,7-hydroxy-isoquinoline,isoquinolin-7-ol, 7-hydroxy-2-azanaphthalene,pubchem6264,acmc-1bfxl,ksc380o3r,7-hydroxyisoquinoline 250mg PubChem CID: 459767 IUPAC Name: isoquinolin-7-ol SMILES: OC1=CC=C2C=CN=CC2=C1

PubChem CID 459767
CAS 7651-83-4
Molecular Weight (g/mol) 145.16
MDL Number MFCD00456131
SMILES OC1=CC=C2C=CN=CC2=C1
Synonym 7-hydroxyisoquinoline,7-isoquinolinol,7-hydroxy-isoquinoline,isoquinolin-7-ol, 7-hydroxy-2-azanaphthalene,pubchem6264,acmc-1bfxl,ksc380o3r,7-hydroxyisoquinoline 250mg
IUPAC Name isoquinolin-7-ol
InChI Key WCRKBMABEPCYII-UHFFFAOYSA-N
Molecular Formula C9H7NO
13
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4-n-Nonylphenol, 98+%

CAS: 104-40-5 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00002396 InChI Key: IGFHQQFPSIBGKE-UHFFFAOYSA-N Synonym: 4-n-nonylphenol,p-nonylphenol,phenol, 4-nonyl,para-nonylphenol,p-n-nonylphenol,phenol, nonyl,phenol, p-nonyl,nonylphenol mixed,phenol, nonyl derivs.,4-nonyl phenol PubChem CID: 1752 ChEBI: CHEBI:34440 IUPAC Name: 4-nonylphenol SMILES: CCCCCCCCCC1=CC=C(C=C1)O

PubChem CID 1752
CAS 104-40-5
Molecular Weight (g/mol) 220.356
ChEBI CHEBI:34440
MDL Number MFCD00002396
SMILES CCCCCCCCCC1=CC=C(C=C1)O
Synonym 4-n-nonylphenol,p-nonylphenol,phenol, 4-nonyl,para-nonylphenol,p-n-nonylphenol,phenol, nonyl,phenol, p-nonyl,nonylphenol mixed,phenol, nonyl derivs.,4-nonyl phenol
IUPAC Name 4-nonylphenol
InChI Key IGFHQQFPSIBGKE-UHFFFAOYSA-N
Molecular Formula C15H24O
14

(+/-)-Octopamine hydrochloride, 99%

CAS: 770-05-8 Molecular Formula: C8H12ClNO2 Molecular Weight (g/mol): 189.64 MDL Number: MFCD00012881 InChI Key: PUMZXCBVHLCWQG-UHFFFAOYNA-N Synonym: octopamine hydrochloride,dl-octopamine hydrochloride,octopamine hcl,epirenor,+/--octopamine hydrochloride,+,--octopamine hcl,4-2-amino-1-hydroxyethyl phenol hydrochloride,+,--octopamine hydrochloride,4-2-amino-1-hydroxyethyl phenol;hydrochloride PubChem CID: 102484 IUPAC Name: 4-(2-amino-1-hydroxyethyl)phenol hydrochloride SMILES: Cl.NCC(O)C1=CC=C(O)C=C1

PubChem CID 102484
CAS 770-05-8
Molecular Weight (g/mol) 189.64
MDL Number MFCD00012881
SMILES Cl.NCC(O)C1=CC=C(O)C=C1
Synonym octopamine hydrochloride,dl-octopamine hydrochloride,octopamine hcl,epirenor,+/--octopamine hydrochloride,+,--octopamine hcl,4-2-amino-1-hydroxyethyl phenol hydrochloride,+,--octopamine hydrochloride,4-2-amino-1-hydroxyethyl phenol;hydrochloride
IUPAC Name 4-(2-amino-1-hydroxyethyl)phenol hydrochloride
InChI Key PUMZXCBVHLCWQG-UHFFFAOYNA-N
Molecular Formula C8H12ClNO2
15

Honokiol, 98+%

CAS: 35354-74-6 Molecular Formula: C18H18O2 Molecular Weight (g/mol): 266.34 MDL Number: MFCD00016674 InChI Key: FVYXIJYOAGAUQK-UHFFFAOYSA-N Synonym: honokiol,5,3'-diallyl-2,4'-dihydroxybiphenyl,3,5'-diallyl-4,2'-dihydroxybiphenyl,unii-11513cco0n,chembl16901,3',5-diallyl-1,1'-biphenyl-2,4'-diol,4-allyl-2-3-allyl-4-hydroxy-phenyl phenol,3',5-diallyl-2,4'-biphenyldiol,3',5-diallylbiphenyl-2,4'-diol,5,3′-diallyl-2,4′-dihydroxydiphenyl PubChem CID: 72303 ChEBI: CHEBI:5759 IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol SMILES: C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

PubChem CID 72303
CAS 35354-74-6
Molecular Weight (g/mol) 266.34
ChEBI CHEBI:5759
MDL Number MFCD00016674
SMILES C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C
Synonym honokiol,5,3'-diallyl-2,4'-dihydroxybiphenyl,3,5'-diallyl-4,2'-dihydroxybiphenyl,unii-11513cco0n,chembl16901,3',5-diallyl-1,1'-biphenyl-2,4'-diol,4-allyl-2-3-allyl-4-hydroxy-phenyl phenol,3',5-diallyl-2,4'-biphenyldiol,3',5-diallylbiphenyl-2,4'-diol,5,3′-diallyl-2,4′-dihydroxydiphenyl
IUPAC Name 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol
InChI Key FVYXIJYOAGAUQK-UHFFFAOYSA-N
Molecular Formula C18H18O2