Molecule ID: 736228

IUPAC Name: 2,4-dihydroxy-3,6-dimethylbenzoic acid

Description: The molecule is a dihydroxybenzoic acid that is o-orsellinic acid in which the hydrogen at position 3 is substituted by a methyl group. It has a role as a fungal metabolite, an antibacterial agent and 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-methylorsellinate.

SMILES: Cc1cc(O)c(C)c(O)c1C(=O)O

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

InChI: InChI=1S/C9H10O4/c1-4-3-6(10)5(2)8(11)7(4)9(12)13/h3,10-11H,1-2H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 2.0