Molecule ID: 550690

IUPAC Name: 3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one

Description: The molecule is an enone that is cyclohexa-2,5-dien-1-one substituted by hydroxy groups at positions 3 and 5 and geminal methyl groups at position 4. It has a role as a metabolite. It is an enol and an enone. It derives from a phloroglucinol.

SMILES: CC1(C)C(=O)C=C(O)C=C1O

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

InChI: InChI=1S/C8H10O3/c1-8(2)6(10)3-5(9)4-7(8)11/h3-4,9-10H,1-2H3

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 0.7