Molecule ID: 2197

IUPAC Name: 2-(4-methoxyphenyl)indene-1,3-dione

Description: The molecule is a cyclic beta-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position. It has a role as an anticoagulant and a vitamin K antagonist. It is a beta-diketone and an aromatic ketone. It derives from a hydride of an indane.

SMILES: COc1ccc(C2C(=O)c3ccccc3C2=O)cc1

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

InChI: InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 2.9