1-(4-methoxyphenyl)-1,2-dihydropyridin-2-one

• ChemBase ID: 173136
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: c1ccn(c(=O)c1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)n1ccccc1=O
• InChI: InChI=1S/C12H11NO2/c1-15-11-7-5-10(6-8-11)13-9-3-2-4-12(13)14/h2-9H,1H3
• InChIKey: XPOAQLWTRJJVPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-(4-methoxyphenyl)pyridin-2-one
• Synonyms: 1-(4-Methoxyphenyl)-2(1H)-pyridinone; 1-(4-Methoxyphenyl)pyridin-2(1H)-one

Database IDs

• CAS Number: 725256-40-6
• PubChem SID: 164229046
• PubChem CID: 12191385

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.740825
• LogD (pH = 7.4): 1.7408252
• Log P: 1.7408252
• Molar Refractivity: 59.1828 cm^3
• Polarizability: 22.032589 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Yellow Solid