Molecule ID: 16871

IUPAC Name: 2-methoxynaphthalene-1,4-dione

Description: The molecule is a naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis. It has a role as a metabolite, an antimicrobial agent and a plant metabolite. It is an enol ether and a member of 1,4-naphthoquinones.

SMILES: COC1=CC(=O)c2ccccc2C1=O

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

InChI: InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 1.4