(6-methylquinolin-3-yl)methanol

• ChemBase ID: 238854
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: n1c2c(cc(c1)CO)cc(cc2)C
• Canonical SMILES: OCc1cnc2c(c1)cc(cc2)C
• InChI: InChI=1S/C11H11NO/c1-8-2-3-11-10(4-8)5-9(7-13)6-12-11/h2-6,13H,7H2,1H3
• InChIKey: HXKJHDIJKKAWCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-methylquinolin-3-yl)methanol
• IUPAC Traditional name: (6-methylquinolin-3-yl)methanol
• Synonyms: (6-methylquinolin-3-yl)methanol

Database IDs

• MDL Number: MFCD18914738
• PubChem SID: 164294764
• PubChem CID: 71685925

CALCULATED PROPERTIES

• Acid pKa: 14.734476
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8536396
• LogD (pH = 7.4): 1.8766696
• Log P: 1.8769721
• Molar Refractivity: 51.8364 cm^3
• Polarizability: 21.215952 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.94

Product Information

• Purity: 95%