Molecule ID: 69068

IUPAC Name: 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione

Description: The molecule is a derivative of benzoquinone carrying a 5-methyl substituent; and methoxy substituents at positions 2 and 3. The core structure of the ubiquinone group of compounds. It has a role as an Escherichia coli metabolite and a human metabolite.

SMILES: COC1=C(OC)C(=O)C(C)=CC1=O

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

InChI: InChI=1S/C9H10O4/c1-5-4-6(10)8(12-2)9(13-3)7(5)11/h4H,1-3H3

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 0.8