Molecule ID: 441964

IUPAC Name: 2-(2-phenylethyl)chromen-4-one

Description: The molecule is a member of the class of chromones that is chromone which is substituted by a 2-phenylethyl group at position 2. It is found in agarwood, a fragrant resinous heartwood obtained from certain trees in the genus Aquilaria. It has a role as a plant metabolite. It is a member of chromones and a member of benzenes. It derives from a chromone.

SMILES: O=c1cc(CCc2ccccc2)oc2ccccc12

SELFIES: [O][=C][C][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1]

InChI: InChI=1S/C17H14O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-9,12H,10-11H2

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 4.2