(2-methylquinolin-4-yl)methanol

• ChemBase ID: 263719
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: n1c2c(c(cc1C)CO)cccc2
• Canonical SMILES: OCc1cc(C)nc2c1cccc2
• InChI: InChI=1S/C11H11NO/c1-8-6-9(7-13)10-4-2-3-5-11(10)12-8/h2-6,13H,7H2,1H3
• InChIKey: MNDWQNXETQDJMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylquinolin-4-yl)methanol
• IUPAC Traditional name: (2-methylquinolin-4-yl)methanol
• Synonyms: (2-methylquinolin-4-yl)methanol

Database IDs

• MDL Number: MFCD07371472
• PubChem SID: 164319629
• PubChem CID: 10149033

CALCULATED PROPERTIES

• Acid pKa: 15.072504
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3732296
• LogD (pH = 7.4): 1.4931474
• Log P: 1.4949208
• Molar Refractivity: 51.3867 cm^3
• Polarizability: 21.21654 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.94

Product Information

• Purity: 95%