2-methyl-4-phenylquinolin-7-ol

• ChemBase ID: 311141
• Molecular Formular: C16H13NO
• Molecular Mass: 235.28052
• Monoisotopic Mass: 235.09971404
• SMILES: c12c(c(cc(n1)C)c1ccccc1)ccc(c2)O
• Canonical SMILES: Oc1ccc2c(c1)nc(cc2c1ccccc1)C
• InChI: InChI=1S/C16H13NO/c1-11-9-15(12-5-3-2-4-6-12)14-8-7-13(18)10-16(14)17-11/h2-10,18H,1H3
• InChIKey: KIIKDLHPUVATID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-phenylquinolin-7-ol
• IUPAC Traditional name: 2-methyl-4-phenylquinolin-7-ol
• Synonyms: 2-methyl-4-phenyl-7-quinolinol

Database IDs

• CAS Number: 92855-40-8
• MDL Number: MFCD00857863

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2316465
• LogD (pH = 7.4): 3.5689409
• Log P: 3.6059306
• Molar Refractivity: 71.6879 cm^3
• Polarizability: 30.454552 Å^3
• Polar Surface Area: 33.12 Å^2