Molecule ID: 19881764

IUPAC Name: 2,4-dihydroxy-3,5,6-trimethylbenzoic acid

Description: The molecule is a member of the class of dihydroxybenzoic acids that is o-orsellinic acid carrying two additional methyl substituents at positions 3 and 5. It has a role as an Aspergillus metabolite. It is a dihydroxybenzoic acid and a member of resorcinols. It derives from an o-orsellinic acid. It is a conjugate acid of a 3,5-dimethylorsellinate.

SMILES: Cc1c(C)c(C(=O)O)c(O)c(C)c1O

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

InChI: InChI=1S/C10H12O4/c1-4-5(2)8(11)6(3)9(12)7(4)10(13)14/h11-12H,1-3H3,(H,13,14)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 2.4