You are looking to Phenylacetaldehyde
General Information
Pubchem ID: 998
IUPAC Name: 2-phenylacetaldehyde
Synonym/s: Benzeneacetaldehyde, Hyacinthin
Molecular Formula: C8H8O3
SMILES:
Known Interaction/s
Structural Values
Molecular Weight (Da): 120.1500
Number of Atoms: 17
Rotatable Bonds: 2
Molecular Refractivity (m³ • mol-1 ): 36.440
Physico-chemical Properties
Volume (cm³ • mol-1 ): 509.57
Solvent Accessible Surface Area (Ų): 333.46
Hydrogen Bond Donor: 0
Hydrogen Bond Acceptor: 1
Total Charge: 0
pKa: 13.32
AlogP: 1.51
Polar Surface Area (Å): 37.80
Pharmacological Analysis
Rule of Five or Lipinsky Rule: Satisfied
Rule of Three: Satisfied
Ghose Filter: Unsatisfied
Functional Group/s
Carbonyl
Aldehyde
Benzene Ring