Molecule ID: 998

IUPAC Name: 2-phenylacetaldehyde

Description: The molecule is an aldehyde that consists of acetaldehyde bearing a methyl substituent; the parent member of the phenylacetaldehyde class of compounds. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is an alpha-CH2-containing aldehyde and a member of phenylacetaldehydes.

SMILES: O=CCc1ccccc1

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

InChI: InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2

Molecular Properties:
- Polar Surface Area: 17.1 Ų
- LogP: 1.8