2-methylquinolin-5-ol

• ChemBase ID: 795991
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c1cc2c(c(c1)O)ccc(n2)C
• Canonical SMILES: Cc1ccc2c(n1)cccc2O
• InChI: InChI=1S/C10H9NO/c1-7-5-6-8-9(11-7)3-2-4-10(8)12/h2-6,12H,1H3
• InChIKey: SCDOECQNQZPWAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylquinolin-5-ol
• IUPAC Traditional name: 2-methylquinolin-5-ol
• Synonyms: 2-methylquinolin-5-ol

Database IDs

• CAS Number: 607-72-7

CALCULATED PROPERTIES

• Acid pKa: 8.858372
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5058061
• LogD (pH = 7.4): 1.9273285
• Log P: 1.9587053
• Molar Refractivity: 46.5517 cm^3
• Polarizability: 19.360254 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%