[2-(8-methoxyquinolin-2-yl)phenyl]methanol

• ChemBase ID: 622745
• Molecular Formular: C17H15NO2
• Molecular Mass: 265.3065
• Monoisotopic Mass: 265.11027873
• SMILES: n1c(c2c(CO)cccc2)ccc2c1c(OC)ccc2
• Canonical SMILES: OCc1ccccc1c1ccc2c(n1)c(OC)ccc2
• InChI: InChI=1S/C17H15NO2/c1-20-16-8-4-6-12-9-10-15(18-17(12)16)14-7-3-2-5-13(14)11-19/h2-10,19H,11H2,1H3
• InChIKey: UYTWYLOOXBKEOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(8-methoxyquinolin-2-yl)phenyl]methanol
• IUPAC Traditional name: [2-(8-methoxyquinolin-2-yl)phenyl]methanol
• Synonyms: [2-(8-methoxyquinolin-2-yl)phenyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.094051
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2388878
• LogD (pH = 7.4): 3.2389543
• Log P: 3.238955
• Molar Refractivity: 78.0226 cm^3
• Polarizability: 32.994095 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.47
• LOG S: -3.25
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 3