Molecular Identity
4-Methylcatechol
4-methylbenzene-1,2-diol
PubChem CID: 9958
4-methylcatechol is a methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies. It has a role as an antioxidant, a carcinogenic agent, a hapten, a plant metabolite and a human metabolite.
2D Structure
Properties
C7H8O2
Molecular Formula
124.14
Molecular Weight
g/mol
124.0524
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
92
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C=C1)O)OIsomeric SMILES
SMILES: CC1=CC(=C(C=C1)O)OSynonyms(20)
4-Methylcatechol452-86-84-methylbenzene-1,2-diol3,4-DihydroxytolueneHomocatechol4-Methyl-1,2-benzenediolHomopyrocatecholp-Methylcatechol1,2-Benzenediol, 4-methyl-Toluene-3,4-diol1,2-Dihydroxy-4-methylbenzenep-Methylpyrocatechol4-Methyl-1,2-dihydroxybenzenePyrocatechol, 4-methyl-2-Hydroxy-4-methylphenol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-Methylcatechol
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