Molecular Identity
Catechol
benzene-1,2-diol
PubChem CID: 289
Catechol can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC).
2D Structure
Properties
C6H6O2
Molecular Formula
110.11
Molecular Weight
g/mol
110.0368
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
62
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C(=C1)O)OIsomeric SMILES
SMILES: C1=CC=C(C(=C1)O)OSynonyms(20)
catecholpyrocatechol120-80-91,2-dihydroxybenzene1,2-benzenediolbenzene-1,2-diolpyrocatechin2-hydroxyphenolo-Dihydroxybenzeneo-Hydroxyphenolo-Benzenediolo-Dioxybenzeneo-HydroquinonePhthalhydroquinonePyrocatechine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Catechol
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