(6-methoxyquinolin-3-yl)methanol

• ChemBase ID: 238855
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: n1c2c(cc(c1)CO)cc(cc2)OC
• Canonical SMILES: OCc1cnc2c(c1)cc(cc2)OC
• InChI: InChI=1S/C11H11NO2/c1-14-10-2-3-11-9(5-10)4-8(7-13)6-12-11/h2-6,13H,7H2,1H3
• InChIKey: GDPVNEOAIYIHSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18914746
• PubChem SID: 164294765
• PubChem CID: 304667

CALCULATED PROPERTIES

• Acid pKa: 14.733596
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1843493
• LogD (pH = 7.4): 1.205601
• Log P: 1.2058794
• Molar Refractivity: 53.2584 cm^3
• Polarizability: 21.927406 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.736

Product Information

• Purity: 95%