2-(4-fluoro-2-methoxyphenyl)quinoline

• ChemBase ID: 549456
• Molecular Formular: C16H12FNO
• Molecular Mass: 253.2709832
• Monoisotopic Mass: 253.09029223
• SMILES: n1c(c2c(cc(cc2)F)OC)ccc2c1cccc2
• Canonical SMILES: COc1cc(F)ccc1c1ccc2c(n1)cccc2
• InChI: InChI=1S/C16H12FNO/c1-19-16-10-12(17)7-8-13(16)15-9-6-11-4-2-3-5-14(11)18-15/h2-10H,1H3
• InChIKey: HVBXNYAJERMHKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluoro-2-methoxyphenyl)quinoline
• IUPAC Traditional name: 2-(4-fluoro-2-methoxyphenyl)quinoline
• Synonyms: 2-(4-fluoro-2-methoxyphenyl)quinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.147323
• LogD (pH = 7.4): 4.1489854
• Log P: 4.149007
• Molar Refractivity: 71.4231 cm^3
• Polarizability: 30.123714 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.81
• LOG S: -4.3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2