WHC is still in active development. Read this to understand our approach.
depiction of YCIMNLLNPGFGHC-UHFFFAOYSA-N.svg
isomerdesign

Catechol

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pubchem

Catechol

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drugmap

Catechol

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Data

InChI: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H

Synonyms: NCGC00091262-02,NCGC00015283-06,Phthalhydroquinone,Katechol [Czech],ZINC13512214,Pyrocatechol, plant cell culture tested, BioReagent, >=99%, powder,Fourrine 68,Catechol-pyrocatechol,ortho-Hydroquinone,Catechin (phenol),DTXSID3020257,phenol derivative, 2, Katechol,o-Dioxybenzene,NCGC00015283-03,BS-20054,NSC-1573,catechol,CATECHOL [IARC],ortho-Hydroxyphenol,PYROCATECHOL [MI], Fouramine PCH,Benzene-1,2-diol (Pyrocatechol),WLN: QR BQ,STK398651,NCGC00015283-08, C.I. Oxidation Base 26,o-Benzenediol,SDCCGSBI-0050268.P002,BDBM26188,EU-0100280,Catechol (Pyrocatechol; Benzene-1,2-diol),FT-0606411,pyrocatechin,pyrocatechol,NCGC00260965-01,Lopac0_000280, pyrocatechin,Oxyphenic acid,C01785,CAQ,DSSTox_CID_257,ortho-diphenol,ortho-Dihydroxybenzene,1,2-dihydroxybenzene,C.I. 76500,CATECHOL [HSDB], Durafur developer C,Pelagol Grey C,HMS3373K16, 2-hydroxyphenol,MLS002153385,Pyrokatechol [Czech],EN300-19426, Pelagol Grey C,Durafur developer C,1,2-Dihydroxybenzene, XI, o-Diphenol,LF3AJ089DQ,o-Hydroxyphenol,P0317,W-109068,HMS2233A17,MFCD00002188,alpha-hydroxyphenol,NCGC00015283-02,BIDD:ER0327,Pyrocatechine,Pyrokatechin [Czech],Tox21_202317,AKOS000119002,Catechol,NCGC00091262-03,o-dihydroxy-benzene,C.I.-76500,SMR000326660,1,2-Benzenediol; Catechol,DSSTox_GSID_20257,HMS3260H22,LP00280,1,2-benzenedio,CCG-204375, Catechin (phenol), Phthalhydroquinone,o-Diphenol,Z104473810,benzene-1,2-diol,NCGC00015283-10,2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R-trans)-, o-Hydroxyphenol, Pyrokatechol,UNII-LF3AJ089DQ,EINECS 204-427-5,s6305,benzenediol,o-Dihydroxybenzene,Pyrocatechinic acid,AC-34196,3fw4,2-hydroxyphenol, Oxyphenic acid,CCRIS 741,C00090,ortho-Quinol,C.I. Oxidation Base 26,4k7i,ortho-Benzenediol,Tox21_300153,Durafur Developer CFouramine PCH,Pyrokatechin,CI Oxidation Base 26,DB02232,CAS-120-80-9,NCGC00259866-01,benzene diol,Pyrocatechol, benzene-1,2-diol,CHEMBL280998,Catechol (phenol),Pyrocatechol, purified by sublimation, >=99.5%,Pyrocatechol, p.a., 99.0%,ortho-Phenylenediol, o-Benzenediol,Tox21_500280,NCGC00253952-01, benzenediol,Pyrocatechol, >=99%, o-Dihydroxybenzene,NCGC00015283-04,PYROCATECHOL [INCI],12385-08-9,F0001-0332,1,2-benzenediol, o-Dioxybenzene,NCGC00015283-01,Phthalic alcohol, Fourrine 68,AI3-03995,P0567,NCI-C55856,Q282440,CI 76500,120-80-9,DSSTox_RID_75468,HSDB 1436, ortho-Hydroxyphenol, 120-80-9,ortho-Dioxybenzene, o-Phenylenediol,CATECHOL [VANDF],BRN 0471401,NCGC00015283-05,D91943,Benzene, o-dihydroxy-, Pyrokatechin,o-Hydroquinone, 1,2-benzenediol,Lopac-C-9510,Oxyphenate,SR-01000075791-1,Pyrocatechinic acidPyrocatechol, 1,2-dihydroxybenzene, Catechol (phenol),NSC 1573,1,2-Benzenediol, homopolymer,C 9510,AB-131/40235236, Pyrocatechine,Katechol,4oow,BP-21156,1,2-Dihydroxybenzene, ReagentPlus(R), >=99%, ortho-Dihydroxybenzene,NSC1573,SCHEMBL18351,NCGC00091262-01,SR-01000075791,EC 204-427-5,MLS002303022,A804599,bmse000385,Pyrocatechol, certified reference material, TraceCERT(R), Benzene, o-dihydroxy-, o-Hydroquinone,DB-003770,26982-53-6,CHEBI:18135,o-Phenylenediol,1,2-Dihydroxybenzene,NCGC00015283-07,Fouramine PCH,Kachin,Pyrokatechol


Estimated data

Solubility: -0.502 (log(S) in mol/L prediction using SolTranNet)

Blood Brain Barrier Permeability: Yes (prediction using frontiersin.org)

Addictivity Prediction: 60.3% (prediction based on www.mdpi.com)

Similarities

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.