4-methoxyquinolin-2-ol

• ChemBase ID: 813487
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1cc2c(cc1)c(cc(n2)O)OC
• Canonical SMILES: COc1cc(O)nc2c1cccc2
• InChI: InChI=1S/C10H9NO2/c1-13-9-6-10(12)11-8-5-3-2-4-7(8)9/h2-6H,1H3,(H,11,12)
• InChIKey: LJYFMHAOCYPGMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxyquinolin-2-ol
• IUPAC Traditional name: 4-methoxyquinolin-2-ol
• Synonyms: 2-HYDROXY-4-METHOXYQUINOLINE

Database IDs

• CAS Number: 27667-34-1

CALCULATED PROPERTIES

• Acid pKa: 11.351858
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2641113
• LogD (pH = 7.4): 2.2640734
• Log P: 2.2641215
• Molar Refractivity: 48.7369 cm^3
• Polarizability: 20.075111 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%