(2-chloro-8-methylquinolin-3-yl)methanol

• ChemBase ID: 308345
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: n1c(c(cc2c1c(ccc2)C)CO)Cl
• Canonical SMILES: OCc1cc2cccc(c2nc1Cl)C
• InChI: InChI=1S/C11H10ClNO/c1-7-3-2-4-8-5-9(6-14)11(12)13-10(7)8/h2-5,14H,6H2,1H3
• InChIKey: GQLHTRIZUUCKGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloro-8-methylquinolin-3-yl)methanol
• IUPAC Traditional name: (2-chloro-8-methylquinolin-3-yl)methanol
• Synonyms: (2-chloro-8-methyl-3-quinolinyl)methanol

Database IDs

• CAS Number: 333408-31-4
• MDL Number: MFCD02232325

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7011914
• LogD (pH = 7.4): 2.7011938
• Log P: 2.701194
• Molar Refractivity: 57.7025 cm^3
• Polarizability: 23.093266 Å^3
• Polar Surface Area: 33.12 Å^2