Benzenediols

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

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1 – 15 of 174 results

4-Methylcatechol, 98%

CAS: 452-86-8 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.14 MDL Number: MFCD00002205 InChI Key: ZBCATMYQYDCTIZ-UHFFFAOYSA-N Synonym: 4-methylcatechol,3,4-dihydroxytoluene,homocatechol,4-methyl-1,2-benzenediol,p-methylcatechol,4-methylpyrocatechol,homopyrocatechol,1,2-dihydroxy-4-methylbenzene,p-methylpyrocatechol,toluene-3,4-diol PubChem CID: 9958 ChEBI: CHEBI:17254 IUPAC Name: 4-methylbenzene-1,2-diol SMILES: CC1=CC=C(O)C(O)=C1

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PubChem CID	9958
CAS	452-86-8
Molecular Weight (g/mol)	124.14
ChEBI	CHEBI:17254
MDL Number	MFCD00002205
SMILES	CC1=CC=C(O)C(O)=C1
Synonym	4-methylcatechol,3,4-dihydroxytoluene,homocatechol,4-methyl-1,2-benzenediol,p-methylcatechol,4-methylpyrocatechol,homopyrocatechol,1,2-dihydroxy-4-methylbenzene,p-methylpyrocatechol,toluene-3,4-diol
IUPAC Name	4-methylbenzene-1,2-diol
InChI Key	ZBCATMYQYDCTIZ-UHFFFAOYSA-N
Molecular Formula	C7H8O2

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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

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Specifications

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

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3-Methylcatechol, 97%

CAS: 488-17-5 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00016435 InChI Key: PGSWEKYNAOWQDF-UHFFFAOYSA-N Synonym: 3-methylcatechol,2,3-dihydroxytoluene,3-methylpyrocatechol,1,2-benzenediol, 3-methyl,2,3-toluenediol,dihydroxytoluene,pyrocatechol, 3-methyl,catechol, 3-methyl,1,2-dihydroxy-3-methylbenzene,3-methyl-1,2-benzenediol PubChem CID: 340 ChEBI: CHEBI:18404 IUPAC Name: 3-methylbenzene-1,2-diol SMILES: CC1=C(C(=CC=C1)O)O

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Specifications

PubChem CID	340
CAS	488-17-5
Molecular Weight (g/mol)	124.139
ChEBI	CHEBI:18404
MDL Number	MFCD00016435
SMILES	CC1=C(C(=CC=C1)O)O
Synonym	3-methylcatechol,2,3-dihydroxytoluene,3-methylpyrocatechol,1,2-benzenediol, 3-methyl,2,3-toluenediol,dihydroxytoluene,pyrocatechol, 3-methyl,catechol, 3-methyl,1,2-dihydroxy-3-methylbenzene,3-methyl-1,2-benzenediol
IUPAC Name	3-methylbenzene-1,2-diol
InChI Key	PGSWEKYNAOWQDF-UHFFFAOYSA-N
Molecular Formula	C7H8O2

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4-Nitrocatechol, 98+%

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

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Specifications

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

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4,6-Diaminoresorcinol dihydrochloride, 98%

CAS: 16523-31-2 Molecular Formula: C₆H₈N₂O₂·₂HCl Molecular Weight (g/mol): 213.06 MDL Number: MFCD00143239 InChI Key: KUMOYHHELWKOCB-UHFFFAOYSA-N Synonym: 4,6-diaminoresorcinol dihydrochloride,4,6-diaminobenzene-1,3-diol dihydrochloride,4,6-diaminoresorcinol 2hcl,1,3-benzenediol, 4,6-diamino-, dihydrochloride,4,6-diamino resorcinol dihydrochloride,4,6-diamino-benzene-1,3-diol 2hcl salt,1,3-benzenediol, 4,6-diamino-, hydrochloride 1:2,4,6-bis azanyl benzene-1,3-diol dihydrochloride,pubchem20873,acmc-1c78d PubChem CID: 2733648 IUPAC Name: 4,6-diaminobenzene-1,3-diol;dihydrochloride SMILES: C1=C(C(=CC(=C1N)O)O)N.Cl.Cl

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Specifications

PubChem CID	2733648
CAS	16523-31-2
Molecular Weight (g/mol)	213.06
MDL Number	MFCD00143239
SMILES	C1=C(C(=CC(=C1N)O)O)N.Cl.Cl
Synonym	4,6-diaminoresorcinol dihydrochloride,4,6-diaminobenzene-1,3-diol dihydrochloride,4,6-diaminoresorcinol 2hcl,1,3-benzenediol, 4,6-diamino-, dihydrochloride,4,6-diamino resorcinol dihydrochloride,4,6-diamino-benzene-1,3-diol 2hcl salt,1,3-benzenediol, 4,6-diamino-, hydrochloride 1:2,4,6-bis azanyl benzene-1,3-diol dihydrochloride,pubchem20873,acmc-1c78d
IUPAC Name	4,6-diaminobenzene-1,3-diol;dihydrochloride
InChI Key	KUMOYHHELWKOCB-UHFFFAOYSA-N
Molecular Formula	C₆H₈N₂O₂·₂HCl

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3,5-Dihydroxybenzonitrile, 98%

CAS: 19179-36-3 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 MDL Number: MFCD00016453 InChI Key: ABHOEQJNEOMTEK-UHFFFAOYSA-N Synonym: benzonitrile, 3,5-dihydroxy,benzonitrile,3,5-dihydroxy,3,5-dihydroxy benzonitrile,5-cyanoresorcinol,a-resorcylonitrile,pubchem13116,acmc-1bouo PubChem CID: 87952 IUPAC Name: 3,5-dihydroxybenzonitrile SMILES: OC1=CC(=CC(O)=C1)C#N

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Specifications

PubChem CID	87952
CAS	19179-36-3
Molecular Weight (g/mol)	135.12
MDL Number	MFCD00016453
SMILES	OC1=CC(=CC(O)=C1)C#N
Synonym	benzonitrile, 3,5-dihydroxy,benzonitrile,3,5-dihydroxy,3,5-dihydroxy benzonitrile,5-cyanoresorcinol,a-resorcylonitrile,pubchem13116,acmc-1bouo
IUPAC Name	3,5-dihydroxybenzonitrile
InChI Key	ABHOEQJNEOMTEK-UHFFFAOYSA-N
Molecular Formula	C7H5NO2

L-Noradrenaline, 98%

CAS: 51-41-2 Molecular Formula: C8H11NO3 Molecular Weight (g/mol): 169.18 MDL Number: MFCD00025592 InChI Key: SFLSHLFXELFNJZ-QMMMGPOBSA-N Synonym: norepinephrine,l-noradrenaline,levarterenol,arterenol,noradrenaline,levophed,--norepinephrine,l-norepinephrine,r-noradrenaline,r-norepinephrine PubChem CID: 439260 ChEBI: CHEBI:18357 IUPAC Name: 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol SMILES: NC[C@H](O)C1=CC=C(O)C(O)=C1

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Specifications

PubChem CID	439260
CAS	51-41-2
Molecular Weight (g/mol)	169.18
ChEBI	CHEBI:18357
MDL Number	MFCD00025592
SMILES	NC[C@H](O)C1=CC=C(O)C(O)=C1
Synonym	norepinephrine,l-noradrenaline,levarterenol,arterenol,noradrenaline,levophed,--norepinephrine,l-norepinephrine,r-noradrenaline,r-norepinephrine
IUPAC Name	4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
InChI Key	SFLSHLFXELFNJZ-QMMMGPOBSA-N
Molecular Formula	C8H11NO3

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

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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

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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

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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

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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

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2-Iodoresorcinol, 97%

CAS: 41046-67-7 Molecular Formula: C6H5IO2 Molecular Weight (g/mol): 236.008 MDL Number: MFCD09701440 InChI Key: BNJXHRMYHDWZKL-UHFFFAOYSA-N Synonym: 2-iodoresorcinol,2-iodo-1,3-benzenediol,1,3-benzenediol, 2-iodo,2-iodo-1,3-dihydroxybenzene,iodoresorcinol,ambkkkkk491,acmc-1aol8,1,3-benzenediol,2-iodo,2-iodo-benzene-1,3-diol,2-iodo-1,3-benzenediol # PubChem CID: 616833 IUPAC Name: 2-iodobenzene-1,3-diol SMILES: C1=CC(=C(C(=C1)O)I)O

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Specifications

PubChem CID	616833
CAS	41046-67-7
Molecular Weight (g/mol)	236.008
MDL Number	MFCD09701440
SMILES	C1=CC(=C(C(=C1)O)I)O
Synonym	2-iodoresorcinol,2-iodo-1,3-benzenediol,1,3-benzenediol, 2-iodo,2-iodo-1,3-dihydroxybenzene,iodoresorcinol,ambkkkkk491,acmc-1aol8,1,3-benzenediol,2-iodo,2-iodo-benzene-1,3-diol,2-iodo-1,3-benzenediol #
IUPAC Name	2-iodobenzene-1,3-diol
InChI Key	BNJXHRMYHDWZKL-UHFFFAOYSA-N
Molecular Formula	C6H5IO2

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3,5-Dihydroxytoluene monohydrate, 97%

CAS: 6153-39-5 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00149092 InChI Key: NBKPNAMTHBIMLA-UHFFFAOYSA-N Synonym: 5-methylbenzene-1,3-diol hydrate,orcinol monohydrate,5-methylresorcinol monohydrate,3,5-dihydroxytoluene monohydrate,orcinol hydrate,resorcinol, 5-methyl-, monohydrate,1,3-benzenediol, 5-methyl-, monohydrate,1,3-dihydroxy-5-methylbenzene monohydrate,acmc-209mtl,5-methylresorcinol hydrate PubChem CID: 3083941 IUPAC Name: 5-methylbenzene-1,3-diol;hydrate SMILES: CC1=CC(=CC(=C1)O)O.O

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Specifications

PubChem CID	3083941
CAS	6153-39-5
Molecular Weight (g/mol)	142.154
MDL Number	MFCD00149092
SMILES	CC1=CC(=CC(=C1)O)O.O
Synonym	5-methylbenzene-1,3-diol hydrate,orcinol monohydrate,5-methylresorcinol monohydrate,3,5-dihydroxytoluene monohydrate,orcinol hydrate,resorcinol, 5-methyl-, monohydrate,1,3-benzenediol, 5-methyl-, monohydrate,1,3-dihydroxy-5-methylbenzene monohydrate,acmc-209mtl,5-methylresorcinol hydrate
IUPAC Name	5-methylbenzene-1,3-diol;hydrate
InChI Key	NBKPNAMTHBIMLA-UHFFFAOYSA-N
Molecular Formula	C7H10O3

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2,5-Dihydroxybenzoic acid, 99%

CAS: 490-79-9 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.121 MDL Number: MFCD00002460 InChI Key: WXTMDXOMEHJXQO-UHFFFAOYSA-N Synonym: gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid PubChem CID: 3469 ChEBI: CHEBI:17189 IUPAC Name: 2,5-dihydroxybenzoic acid SMILES: C1=CC(=C(C=C1O)C(=O)O)O

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Specifications

PubChem CID	3469
CAS	490-79-9
Molecular Weight (g/mol)	154.121
ChEBI	CHEBI:17189
MDL Number	MFCD00002460
SMILES	C1=CC(=C(C=C1O)C(=O)O)O
Synonym	gentisic acid,hydroquinonecarboxylic acid,benzoic acid, 2,5-dihydroxy,5-hydroxysalicylic acid,gensigen,gensigon,gentisate,2,5-dioxybenzoic acid,2,5-dhba,gentisinic acid
IUPAC Name	2,5-dihydroxybenzoic acid
InChI Key	WXTMDXOMEHJXQO-UHFFFAOYSA-N
Molecular Formula	C7H6O4

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Trimethylhydroquinone, 98%

CAS: 700-13-0 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.193 MDL Number: MFCD00002346 InChI Key: AUFZRCJENRSRLY-UHFFFAOYSA-N Synonym: trimethylhydroquinone,2,3,5-trimethylhydroquinone,1,4-benzenediol, 2,3,5-trimethyl,pseudocumohydroquinone,psi-cumohydroquinone,2,3,6-trimethylhydroquinone,2,3,5-trimethyl-benzene-1,4-diol,hydroquinone, trimethyl,2,3,5-trimethyl-1,4-benzenediol,.psi.-cumohydroquinone PubChem CID: 12785 IUPAC Name: 2,3,5-trimethylbenzene-1,4-diol SMILES: CC1=CC(=C(C(=C1O)C)C)O

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Specifications

PubChem CID	12785
CAS	700-13-0
Molecular Weight (g/mol)	152.193
MDL Number	MFCD00002346
SMILES	CC1=CC(=C(C(=C1O)C)C)O
Synonym	trimethylhydroquinone,2,3,5-trimethylhydroquinone,1,4-benzenediol, 2,3,5-trimethyl,pseudocumohydroquinone,psi-cumohydroquinone,2,3,6-trimethylhydroquinone,2,3,5-trimethyl-benzene-1,4-diol,hydroquinone, trimethyl,2,3,5-trimethyl-1,4-benzenediol,.psi.-cumohydroquinone
IUPAC Name	2,3,5-trimethylbenzene-1,4-diol
InChI Key	AUFZRCJENRSRLY-UHFFFAOYSA-N
Molecular Formula	C9H12O2

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4-Fluororesorcinol, 97%

CAS: 103068-41-3 Molecular Formula: C6H5FO2 Molecular Weight (g/mol): 128.102 MDL Number: MFCD03789074 InChI Key: XPOIJNIQXJYQOV-UHFFFAOYSA-N Synonym: 4-fluororesorcinol,4-fluoro-1,3-benzenediol,1-fluoro-2,4-dihydroxybenzene,4-fluoro-1,3-dihydroxybenzene,1,3-benzenediol, 4-fluoro,2,4-dihydroxyfluorobenzene,4fluororesorcinol,pubchem22656,4-fluoroben-zene-1,3-diol PubChem CID: 10558640 IUPAC Name: 4-fluorobenzene-1,3-diol SMILES: C1=CC(=C(C=C1O)O)F

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Specifications

PubChem CID	10558640
CAS	103068-41-3
Molecular Weight (g/mol)	128.102
MDL Number	MFCD03789074
SMILES	C1=CC(=C(C=C1O)O)F
Synonym	4-fluororesorcinol,4-fluoro-1,3-benzenediol,1-fluoro-2,4-dihydroxybenzene,4-fluoro-1,3-dihydroxybenzene,1,3-benzenediol, 4-fluoro,2,4-dihydroxyfluorobenzene,4fluororesorcinol,pubchem22656,4-fluoroben-zene-1,3-diol
IUPAC Name	4-fluorobenzene-1,3-diol
InChI Key	XPOIJNIQXJYQOV-UHFFFAOYSA-N
Molecular Formula	C6H5FO2

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