8-methoxyquinolin-4-ol

• ChemBase ID: 813207
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1c(c2c(cc1)c(ccn2)O)OC
• Canonical SMILES: COc1cccc2c1nccc2O
• InChI: InChI=1S/C10H9NO2/c1-13-9-4-2-3-7-8(12)5-6-11-10(7)9/h2-6H,1H3,(H,11,12)
• InChIKey: DJVLMLGPDKKYJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxyquinolin-4-ol
• IUPAC Traditional name: 8-methoxyquinolin-4-ol
• Synonyms: 4-HYDROXY-8-METHOXYQUINOLINE

Database IDs

• CAS Number: 21269-34-1

CALCULATED PROPERTIES

• Acid pKa: 10.869988
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6696137
• LogD (pH = 7.4): 1.6695186
• Log P: 1.6696639
• Molar Refractivity: 48.4234 cm^3
• Polarizability: 20.078173 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%