Molecule ID: 3747

IUPAC Name: 3-phenyl-7-propan-2-yloxychromen-4-one

Description: The molecule is a member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women. It has a role as a bone density conservation agent. It is a member of isoflavones and an aromatic ether.

SMILES: CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1

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

InChI: InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3

Molecular Properties:
- Polar Surface Area: 35.5 Ų
- LogP: 4.0