Benzenediols

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

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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

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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

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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

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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

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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

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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

2-Methylresorcinol, 98%

CAS: 608-25-3 Molecular Formula: C₇H₈O₂ Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002271 InChI Key: ZTMADXFOCUXMJE-UHFFFAOYSA-N Synonym: 2-methylresorcinol,2,6-dihydroxytoluene,1,3-benzenediol, 2-methyl,2-methylresorcin,resorcinol, 2-methyl,toluene-2,6-diol,2-methyl-1,3-benzenediol,1,3-dihydroxy-2-methylbenzene,1,3-benzenediol, methyl,2-methyl resorcinol PubChem CID: 11843 IUPAC Name: 2-methylbenzene-1,3-diol SMILES: CC1=C(C=CC=C1O)O

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Specifications

PubChem CID	11843
CAS	608-25-3
Molecular Weight (g/mol)	124.14
MDL Number	MFCD00002271
SMILES	CC1=C(C=CC=C1O)O
Synonym	2-methylresorcinol,2,6-dihydroxytoluene,1,3-benzenediol, 2-methyl,2-methylresorcin,resorcinol, 2-methyl,toluene-2,6-diol,2-methyl-1,3-benzenediol,1,3-dihydroxy-2-methylbenzene,1,3-benzenediol, methyl,2-methyl resorcinol
IUPAC Name	2-methylbenzene-1,3-diol
InChI Key	ZTMADXFOCUXMJE-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₂

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

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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-Nitrocatechol, 97%

CAS: 3316-09-4 Molecular Formula: C₆H₅NO₄ Molecular Weight (g/mol): 155.11 MDL Number: MFCD00007242 InChI Key: XJNPNXSISMKQEX-UHFFFAOYSA-N Synonym: 4-nitrocatechol,4-nitropyrocatechol,1,2-dihydroxy-4-nitrobenzene,4-nitro-1,2-benzenediol,3,4-dihydroxy-1-nitrobenzene,unii-sw60ng75en,sw60ng75en,1,2-benzenediol, 4-nitro,nitrocatechol mix of isomers,4nc PubChem CID: 3505109 ChEBI: CHEBI:16318 IUPAC Name: 4-nitrobenzene-1,2-diol SMILES: C1=CC(=C(C=C1[N+](=O)[O-])O)O

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Specifications

PubChem CID	3505109
CAS	3316-09-4
Molecular Weight (g/mol)	155.11
ChEBI	CHEBI:16318
MDL Number	MFCD00007242
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])O)O
Synonym	4-nitrocatechol,4-nitropyrocatechol,1,2-dihydroxy-4-nitrobenzene,4-nitro-1,2-benzenediol,3,4-dihydroxy-1-nitrobenzene,unii-sw60ng75en,sw60ng75en,1,2-benzenediol, 4-nitro,nitrocatechol mix of isomers,4nc
IUPAC Name	4-nitrobenzene-1,2-diol
InChI Key	XJNPNXSISMKQEX-UHFFFAOYSA-N
Molecular Formula	C₆H₅NO₄

3,5-Dihydroxybenzyl alcohol, 98%

CAS: 29654-55-5 Molecular Formula: C₇H₈O₃ Molecular Weight (g/mol): 140.14 MDL Number: MFCD00016867 InChI Key: NGYYFWGABVVEPL-UHFFFAOYSA-N Synonym: 3,5-dihydroxybenzyl alcohol,5-hydroxymethyl-1,3-benzenediol,5-hydroxymethyl benzene-1,3-diol,5-hydroxymethyl resorcinol,benzyl alcohol, 3,5-dihydroxy,1,3-benzenediol, 5-hydroxymethyl,3,5-dihydroxybenzylalcohol,3,5-dihydroxy benzyl alcohol,pubchem7418,acmc-1cjog PubChem CID: 34661 IUPAC Name: 5-(hydroxymethyl)benzene-1,3-diol SMILES: C1=C(C=C(C=C1O)O)CO

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Specifications

PubChem CID	34661
CAS	29654-55-5
Molecular Weight (g/mol)	140.14
MDL Number	MFCD00016867
SMILES	C1=C(C=C(C=C1O)O)CO
Synonym	3,5-dihydroxybenzyl alcohol,5-hydroxymethyl-1,3-benzenediol,5-hydroxymethyl benzene-1,3-diol,5-hydroxymethyl resorcinol,benzyl alcohol, 3,5-dihydroxy,1,3-benzenediol, 5-hydroxymethyl,3,5-dihydroxybenzylalcohol,3,5-dihydroxy benzyl alcohol,pubchem7418,acmc-1cjog
IUPAC Name	5-(hydroxymethyl)benzene-1,3-diol
InChI Key	NGYYFWGABVVEPL-UHFFFAOYSA-N
Molecular Formula	C₇H₈O₃

4-Nitrocatechol, 98+%

CAS: 3316-09-4 MDL Number: MFCD00007242 ChEBI: CHEBI:16318

Pricing and Availability
Specifications

CAS	3316-09-4
ChEBI	CHEBI:16318
MDL Number	MFCD00007242

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

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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

3,5-Dihydroxytoluene, 99%

CAS: 504-15-4 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002291 InChI Key: OIPPWFOQEKKFEE-UHFFFAOYSA-N Synonym: orcinol,3,5-dihydroxytoluene,5-methylresorcinol,1,3-dihydroxy-5-methylbenzene,orcin,5-methyl-1,3-benzenediol,5-methylresorcin,3-hydroxy-5-methylphenol,3,5-toluenediol,1,3-benzenediol, 5-methyl PubChem CID: 10436 ChEBI: CHEBI:16536 IUPAC Name: 5-methylbenzene-1,3-diol SMILES: CC1=CC(O)=CC(O)=C1

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Specifications

PubChem CID	10436
CAS	504-15-4
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:16536
MDL Number	MFCD00002291
SMILES	CC1=CC(O)=CC(O)=C1
Synonym	orcinol,3,5-dihydroxytoluene,5-methylresorcinol,1,3-dihydroxy-5-methylbenzene,orcin,5-methyl-1,3-benzenediol,5-methylresorcin,3-hydroxy-5-methylphenol,3,5-toluenediol,1,3-benzenediol, 5-methyl
IUPAC Name	5-methylbenzene-1,3-diol
InChI Key	OIPPWFOQEKKFEE-UHFFFAOYSA-N
Molecular Formula	C7H8O2

Resorcinol, 98%

CAS: 108-46-3 Molecular Formula: C₆H₆O₂ Molecular Weight (g/mol): 110.11 MDL Number: MFCD00002269 InChI Key: GHMLBKRAJCXXBS-UHFFFAOYSA-N Synonym: resorcinol,1,3-benzenediol,resorcin,1,3-dihydroxybenzene,3-hydroxyphenol,m-hydroquinone,resorcine,m-dihydroxybenzene,m-hydroxyphenol,m-benzenediol PubChem CID: 5054 ChEBI: CHEBI:27810 IUPAC Name: benzene-1,3-diol SMILES: C1=CC(=CC(=C1)O)O

Pricing and Availability
Specifications

PubChem CID	5054
CAS	108-46-3
Molecular Weight (g/mol)	110.11
ChEBI	CHEBI:27810
MDL Number	MFCD00002269
SMILES	C1=CC(=CC(=C1)O)O
Synonym	resorcinol,1,3-benzenediol,resorcin,1,3-dihydroxybenzene,3-hydroxyphenol,m-hydroquinone,resorcine,m-dihydroxybenzene,m-hydroxyphenol,m-benzenediol
IUPAC Name	benzene-1,3-diol
InChI Key	GHMLBKRAJCXXBS-UHFFFAOYSA-N
Molecular Formula	C₆H₆O₂

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