Benzenediols

Aromatic organic compounds that consist of a benzene ring with two hydroxyl functional group substitutions.

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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

Pricing and Availability
Specifications

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

4-Chlororesorcinol, 98%

CAS: 95-88-5 Molecular Formula: C6H5ClO2 Molecular Weight (g/mol): 144.55 MDL Number: MFCD00002273 InChI Key: JQVAPEJNIZULEK-UHFFFAOYSA-N Synonym: 4-chlororesorcinol,1,3-benzenediol, 4-chloro,p-chlororesorcinol,4-chlororesorcin,resorcinol, 4-chloro,6-chlororesorcinol,4-chloro-1,3-dihydroxybenzene,4-chloro-1,3-benzenediol,2,4-dihydroxychlorobenzene,1,3-dihydroxy-4-chlorobenzene PubChem CID: 1731 IUPAC Name: 4-chlorobenzene-1,3-diol SMILES: OC1=CC=C(Cl)C(O)=C1

Pricing and Availability
Specifications

PubChem CID	1731
CAS	95-88-5
Molecular Weight (g/mol)	144.55
MDL Number	MFCD00002273
SMILES	OC1=CC=C(Cl)C(O)=C1
Synonym	4-chlororesorcinol,1,3-benzenediol, 4-chloro,p-chlororesorcinol,4-chlororesorcin,resorcinol, 4-chloro,6-chlororesorcinol,4-chloro-1,3-dihydroxybenzene,4-chloro-1,3-benzenediol,2,4-dihydroxychlorobenzene,1,3-dihydroxy-4-chlorobenzene
IUPAC Name	4-chlorobenzene-1,3-diol
InChI Key	JQVAPEJNIZULEK-UHFFFAOYSA-N
Molecular Formula	C6H5ClO2

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

Pricing and Availability
Specifications

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

2-Nitroresorcinol, 98%

CAS: 601-89-8 Molecular Formula: C6H5NO4 Molecular Weight (g/mol): 155.11 MDL Number: MFCD00007124 InChI Key: ZLCPKMIJYMHZMJ-UHFFFAOYSA-N Synonym: 2-nitroresorcinol,2-nitrobenzene-1,3-diol,1,3-benzenediol, 2-nitro,resorcinol, 2-nitro,2-nitro-1,3-benzenediol,1,3-dihydroxy-2-nitrobenzene,1,3-benzenediol, nitro,2,6-dihydroxynitrobenzene,nitroresorcinol,acmc-209mid PubChem CID: 11760 IUPAC Name: 2-nitrobenzene-1,3-diol SMILES: OC1=CC=CC(O)=C1[N+]([O-])=O

Pricing and Availability
Specifications

PubChem CID	11760
CAS	601-89-8
Molecular Weight (g/mol)	155.11
MDL Number	MFCD00007124
SMILES	OC1=CC=CC(O)=C1[N+]([O-])=O
Synonym	2-nitroresorcinol,2-nitrobenzene-1,3-diol,1,3-benzenediol, 2-nitro,resorcinol, 2-nitro,2-nitro-1,3-benzenediol,1,3-dihydroxy-2-nitrobenzene,1,3-benzenediol, nitro,2,6-dihydroxynitrobenzene,nitroresorcinol,acmc-209mid
IUPAC Name	2-nitrobenzene-1,3-diol
InChI Key	ZLCPKMIJYMHZMJ-UHFFFAOYSA-N
Molecular Formula	C6H5NO4

4-Bromoresorcinol, 98%

CAS: 6626-15-9 Molecular Formula: C₆H₅BrO₂ Molecular Weight (g/mol): 189.01 MDL Number: MFCD00002272 InChI Key: MPCCNXGZCOXPMG-UHFFFAOYSA-N Synonym: 4-bromoresorcinol,1-bromo-2,4-dihydroxybenzene,1,3-benzenediol, 4-bromo,4-bromo-1,3-dihydroxybenzene,4-bromo-benzene-1,3-diol,4-bromo-resorcinol,resorcinol, 4-bromo,acmc-209nuf,2,4-dihydroxybromobenzene PubChem CID: 81105 IUPAC Name: 4-bromobenzene-1,3-diol SMILES: C1=CC(=C(C=C1O)O)Br

Pricing and Availability
Specifications

PubChem CID	81105
CAS	6626-15-9
Molecular Weight (g/mol)	189.01
MDL Number	MFCD00002272
SMILES	C1=CC(=C(C=C1O)O)Br
Synonym	4-bromoresorcinol,1-bromo-2,4-dihydroxybenzene,1,3-benzenediol, 4-bromo,4-bromo-1,3-dihydroxybenzene,4-bromo-benzene-1,3-diol,4-bromo-resorcinol,resorcinol, 4-bromo,acmc-209nuf,2,4-dihydroxybromobenzene
IUPAC Name	4-bromobenzene-1,3-diol
InChI Key	MPCCNXGZCOXPMG-UHFFFAOYSA-N
Molecular Formula	C₆H₅BrO₂

4-n-Hexylresorcinol, 99%

CAS: 136-77-6 Molecular Formula: C12H18O2 Molecular Weight (g/mol): 194.27 MDL Number: MFCD00002284 InChI Key: WFJIVOKAWHGMBH-UHFFFAOYSA-N Synonym: hexylresorcinol,4-hexylresorcinol,antascarin,ascaricid,ascarinol,4-n-hexylresorcinol,oxana,p-hexylresorcinol,adrover,caprokol PubChem CID: 3610 IUPAC Name: 4-hexylbenzene-1,3-diol SMILES: CCCCCCC1=CC=C(O)C=C1O

Pricing and Availability
Specifications

PubChem CID	3610
CAS	136-77-6
Molecular Weight (g/mol)	194.27
MDL Number	MFCD00002284
SMILES	CCCCCCC1=CC=C(O)C=C1O
Synonym	hexylresorcinol,4-hexylresorcinol,antascarin,ascaricid,ascarinol,4-n-hexylresorcinol,oxana,p-hexylresorcinol,adrover,caprokol
IUPAC Name	4-hexylbenzene-1,3-diol
InChI Key	WFJIVOKAWHGMBH-UHFFFAOYSA-N
Molecular Formula	C12H18O2

Thermo Scientific™ Piceatannol

CAS: 10083-24-6 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.25 InChI Key: CDRPUGZCRXZLFL-OWOJBTEDSA-N IUPAC Name: 5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol SMILES: OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1

Pricing and Availability
Specifications

CAS	10083-24-6
Molecular Weight (g/mol)	244.25
SMILES	OC1=CC(\C=C\C2=CC=C(O)C(O)=C2)=CC(O)=C1
IUPAC Name	5-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]benzene-1,3-diol
InChI Key	CDRPUGZCRXZLFL-OWOJBTEDSA-N
Molecular Formula	C14H12O4

3-Fluoro-1,2-dihydroxybenzene, 98+%, Thermo Scientific Chemicals

CAS: 363-52-0 Molecular Formula: C6H5FO2 Molecular Weight (g/mol): 128.10 MDL Number: MFCD00042582 InChI Key: DXOSJQLIRGXWCF-UHFFFAOYSA-N Synonym: 3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142 PubChem CID: 67764 ChEBI: CHEBI:39876 IUPAC Name: 3-fluorobenzene-1,2-diol SMILES: OC1=CC=CC(F)=C1O

Pricing and Availability
Specifications

PubChem CID	67764
CAS	363-52-0
Molecular Weight (g/mol)	128.10
ChEBI	CHEBI:39876
MDL Number	MFCD00042582
SMILES	OC1=CC=CC(F)=C1O
Synonym	3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142
IUPAC Name	3-fluorobenzene-1,2-diol
InChI Key	DXOSJQLIRGXWCF-UHFFFAOYSA-N
Molecular Formula	C6H5FO2

2,3-Dimethylhydroquinone, 97%

CAS: 608-43-5 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00009997 InChI Key: BXJGUBZTZWCMEX-UHFFFAOYSA-N Synonym: 2,3-dimethylhydroquinone,o-xylene-3,6-diol,2,3-xylohydroquinone,o-xylohydroquinone,1,4-benzenediol, 2,3-dimethyl,unii-f0l7hg609j,1,4-dihydroxy-2,3-dimethylbenzene,3,6-dihydroxy-o-xylene,2,3-dimethyl-1,4-benzenediol,2,3-dimethyl hydroquinone PubChem CID: 69100 IUPAC Name: 2,3-dimethylbenzene-1,4-diol SMILES: CC1=C(C)C(O)=CC=C1O

Pricing and Availability
Specifications

PubChem CID	69100
CAS	608-43-5
Molecular Weight (g/mol)	138.17
MDL Number	MFCD00009997
SMILES	CC1=C(C)C(O)=CC=C1O
Synonym	2,3-dimethylhydroquinone,o-xylene-3,6-diol,2,3-xylohydroquinone,o-xylohydroquinone,1,4-benzenediol, 2,3-dimethyl,unii-f0l7hg609j,1,4-dihydroxy-2,3-dimethylbenzene,3,6-dihydroxy-o-xylene,2,3-dimethyl-1,4-benzenediol,2,3-dimethyl hydroquinone
IUPAC Name	2,3-dimethylbenzene-1,4-diol
InChI Key	BXJGUBZTZWCMEX-UHFFFAOYSA-N
Molecular Formula	C8H10O2

Isoprenaline hydrochloride, 98%, Thermo Scientific Chemicals

CAS: 51-30-9 Molecular Formula: C11H18ClNO3 Molecular Weight (g/mol): 247.72 MDL Number: MFCD00012603,MFCD00064548 InChI Key: IROWCYIEJAOFOW-UHFFFAOYNA-N Synonym: isoprenaline hydrochloride,isoproterenol hydrochloride,isuprel,euspiran,isoprenaline hcl,isoproterenol hcl,aerolone,aerotrol,izadrin,vapo-iso PubChem CID: 5807 IUPAC Name: 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride SMILES: [H+].[Cl-].CC(C)NCC(O)C1=CC=C(O)C(O)=C1

Pricing and Availability
Specifications

PubChem CID	5807
CAS	51-30-9
Molecular Weight (g/mol)	247.72
MDL Number	MFCD00012603,MFCD00064548
SMILES	[H+].[Cl-].CC(C)NCC(O)C1=CC=C(O)C(O)=C1
Synonym	isoprenaline hydrochloride,isoproterenol hydrochloride,isuprel,euspiran,isoprenaline hcl,isoproterenol hcl,aerolone,aerotrol,izadrin,vapo-iso
IUPAC Name	4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol;hydrochloride
InChI Key	IROWCYIEJAOFOW-UHFFFAOYNA-N
Molecular Formula	C11H18ClNO3

Tyrphostin A23, 99%, Thermo Scientific Chemicals

CAS: 118409-57-7 Molecular Formula: C10H6N2O2 Molecular Weight (g/mol): 186.17 MDL Number: MFCD00133899 InChI Key: VTJXFTPMFYAJJU-UHFFFAOYSA-N Synonym: tyrphostin 23,tyrphostin a23,3,4-dihydroxybenzylidene malononitrile,tyrphostin ag18,tyrphostin rg50810,unii-rv0gcd31oj,2-3,4-dihydroxyphenyl methylidene propanedinitrile,2-3,4-dihydroxybenzylidene malononitrile,alpha-cyano-3,4-dihydroxy cinnamonitrile,propanedinitrile,2-3,4-dihydroxyphenyl methylene PubChem CID: 2052 IUPAC Name: 2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile SMILES: C1=CC(=C(C=C1C=C(C#N)C#N)O)O

Pricing and Availability
Specifications

PubChem CID	2052
CAS	118409-57-7
Molecular Weight (g/mol)	186.17
MDL Number	MFCD00133899
SMILES	C1=CC(=C(C=C1C=C(C#N)C#N)O)O
Synonym	tyrphostin 23,tyrphostin a23,3,4-dihydroxybenzylidene malononitrile,tyrphostin ag18,tyrphostin rg50810,unii-rv0gcd31oj,2-3,4-dihydroxyphenyl methylidene propanedinitrile,2-3,4-dihydroxybenzylidene malononitrile,alpha-cyano-3,4-dihydroxy cinnamonitrile,propanedinitrile,2-3,4-dihydroxyphenyl methylene
IUPAC Name	2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile
InChI Key	VTJXFTPMFYAJJU-UHFFFAOYSA-N
Molecular Formula	C10H6N2O2

Resveratrol, 98%

CAS: 501-36-0 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00133799 InChI Key: LUKBXSAWLPMMSZ-OWOJBTEDSA-N Synonym: resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol PubChem CID: 445154 ChEBI: CHEBI:45713 IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

Pricing and Availability
Specifications

PubChem CID	445154
CAS	501-36-0
Molecular Weight (g/mol)	228.247
ChEBI	CHEBI:45713
MDL Number	MFCD00133799
SMILES	C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
Synonym	resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol
IUPAC Name	5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
InChI Key	LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Molecular Formula	C14H12O3

L-Adrenaline, 98+%

CAS: 51-43-4 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.207 MDL Number: MFCD00002204 InChI Key: UCTWMZQNUQWSLP-VIFPVBQESA-N Synonym: epinephrine,l-adrenaline,adrenaline,l-epinephrine,adrenalin,levoepinephrine,epinefrina,--adrenaline,adnephrine,chelafrin PubChem CID: 5816 ChEBI: CHEBI:28918 IUPAC Name: 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol SMILES: CNCC(C1=CC(=C(C=C1)O)O)O

Pricing and Availability
Specifications

PubChem CID	5816
CAS	51-43-4
Molecular Weight (g/mol)	183.207
ChEBI	CHEBI:28918
MDL Number	MFCD00002204
SMILES	CNCC(C1=CC(=C(C=C1)O)O)O
Synonym	epinephrine,l-adrenaline,adrenaline,l-epinephrine,adrenalin,levoepinephrine,epinefrina,--adrenaline,adnephrine,chelafrin
IUPAC Name	4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
InChI Key	UCTWMZQNUQWSLP-VIFPVBQESA-N
Molecular Formula	C9H13NO3

Hydroquinone, 99.5%

CAS: 123-31-9 Molecular Formula: C₆H₆O₂ Molecular Weight (g/mol): 110.11 MDL Number: MFCD00002339 InChI Key: QIGBRXMKCJKVMJ-UHFFFAOYSA-N Synonym: hydroquinone,1,4-benzenediol,quinol,1,4-dihydroxybenzene,p-benzenediol,4-hydroxyphenol,p-hydroquinone,p-hydroxyphenol,p-dihydroxybenzene,benzoquinol PubChem CID: 785 ChEBI: CHEBI:17594 IUPAC Name: benzene-1,4-diol SMILES: C1=CC(=CC=C1O)O

Pricing and Availability
Specifications

PubChem CID	785
CAS	123-31-9
Molecular Weight (g/mol)	110.11
ChEBI	CHEBI:17594
MDL Number	MFCD00002339
SMILES	C1=CC(=CC=C1O)O
Synonym	hydroquinone,1,4-benzenediol,quinol,1,4-dihydroxybenzene,p-benzenediol,4-hydroxyphenol,p-hydroquinone,p-hydroxyphenol,p-dihydroxybenzene,benzoquinol
IUPAC Name	benzene-1,4-diol
InChI Key	QIGBRXMKCJKVMJ-UHFFFAOYSA-N
Molecular Formula	C₆H₆O₂

3,4-Dihydroxyphenylacetic acid, 98%

CAS: 102-32-9 Molecular Formula: C₈H₈O₄ Molecular Weight (g/mol): 168.15 MDL Number: MFCD00004338 InChI Key: CFFZDZCDUFSOFZ-UHFFFAOYSA-N Synonym: 3,4-dihydroxyphenylacetic acid,dopac,homoprotocatechuic acid,2-3,4-dihydroxyphenyl acetic acid,dopacetic acid,benzeneacetic acid, 3,4-dihydroxy,dihydroxyphenylacetic acid,3,4-dihydroxybenzeneacetic acid,4-carboxymethylcatechol,homoprotocatechuate PubChem CID: 547 ChEBI: CHEBI:41941 IUPAC Name: 2-(3,4-dihydroxyphenyl)acetic acid SMILES: C1=CC(=C(C=C1CC(=O)O)O)O

Pricing and Availability
Specifications

PubChem CID	547
CAS	102-32-9
Molecular Weight (g/mol)	168.15
ChEBI	CHEBI:41941
MDL Number	MFCD00004338
SMILES	C1=CC(=C(C=C1CC(=O)O)O)O
Synonym	3,4-dihydroxyphenylacetic acid,dopac,homoprotocatechuic acid,2-3,4-dihydroxyphenyl acetic acid,dopacetic acid,benzeneacetic acid, 3,4-dihydroxy,dihydroxyphenylacetic acid,3,4-dihydroxybenzeneacetic acid,4-carboxymethylcatechol,homoprotocatechuate
IUPAC Name	2-(3,4-dihydroxyphenyl)acetic acid
InChI Key	CFFZDZCDUFSOFZ-UHFFFAOYSA-N
Molecular Formula	C₈H₈O₄

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