1-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-dihydropyridin-2-one

• ChemBase ID: 536449
• Molecular Formular: C14H14FNO3
• Molecular Mass: 263.2642632
• Monoisotopic Mass: 263.09577153
• SMILES: c1(=O)n(cccc1OC)CCOc1ccc(F)cc1
• Canonical SMILES: COc1cccn(c1=O)CCOc1ccc(cc1)F
• InChI: InChI=1S/C14H14FNO3/c1-18-13-3-2-8-16(14(13)17)9-10-19-12-6-4-11(15)5-7-12/h2-8H,9-10H2,1H3
• InChIKey: DMAYITWHBGCLQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(4-fluorophenoxy)ethyl]-3-methoxy-1,2-dihydropyridin-2-one
• IUPAC Traditional name: 1-[2-(4-fluorophenoxy)ethyl]-3-methoxypyridin-2-one
• Synonyms: 1-[2-(4-fluorophenoxy)ethyl]-3-methoxypyridin-2(1H)-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0
• Log P: 1.85
• LOG S: -2.7

JChem

• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8932925
• LogD (pH = 7.4): 1.8932925
• Log P: 1.8932925
• Molar Refractivity: 70.4292 cm^3
• Polarizability: 26.126421 Å^3
• Polar Surface Area: 38.77 Å^2