Molecule ID: 10465957

IUPAC Name: 4-hydroxy-3-(2-hydroxyethyl)naphthalene-1,2-dione

Description: The molecule is a naphthoquinone that is naphthalene-1,4-dione substituted by a hydroxy group and a 2-hydroxyethyl group at positions 2 and 3 respectively. It is a diol and a hydroxy-1,4-naphthoquinone. It is a conjugate acid of a 3-(2-hydroxyethyl)-1,4-dioxo-1,4-dihydronaphthalen-2-olate.

SMILES: O=C1C(=O)c2ccccc2C(O)=C1CCO

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

InChI: InChI=1S/C12H10O4/c13-6-5-9-10(14)7-3-1-2-4-8(7)11(15)12(9)16/h1-4,13-14H,5-6H2

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: 0.4