Molecule ID: 9958

IUPAC Name: 4-methylbenzene-1,2-diol

Description: The molecule is a methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies. It has a role as a hapten, a carcinogenic agent, an antioxidant, a human metabolite and a plant metabolite.

SMILES: Cc1ccc(O)c(O)c1

SELFIES: [C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]

InChI: InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 1.4