1-[4-(benzyloxy)phenyl]-1,2-dihydropyridin-2-one

• ChemBase ID: 161873
• Molecular Formular: C18H15NO2
• Molecular Mass: 277.3172
• Monoisotopic Mass: 277.11027873
• SMILES: c1cn(c(=O)cc1)c1ccc(cc1)OCc1ccccc1
• Canonical SMILES: O=c1ccccn1c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C18H15NO2/c20-18-8-4-5-13-19(18)16-9-11-17(12-10-16)21-14-15-6-2-1-3-7-15/h1-13H,14H2
• InChIKey: WKCVWBXSGOFMMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(benzyloxy)phenyl]-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-[4-(benzyloxy)phenyl]pyridin-2-one
• Synonyms: 1-[4-(Phenylmethoxy)phenyl]-2(1H)-pyridinone; 1-(4-Benzyloxyphenyl)pyridin-2(1H)-one

Database IDs

• CAS Number: 1076199-03-5
• PubChem SID: 162256008
• PubChem CID: 29973714

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4652982
• LogD (pH = 7.4): 3.4652982
• Log P: 3.4652982
• Molar Refractivity: 83.7954 cm^3
• Polarizability: 31.640173 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate; Hexane
• Apperance: Yellow Solid