6-methoxyquinolin-4-ol

• ChemBase ID: 815775
• Molecular Formular: C10H9NO2
• Molecular Mass: 175.18396
• Monoisotopic Mass: 175.06332853
• SMILES: c1cc2c(cc1OC)c(ccn2)O
• Canonical SMILES: COc1ccc2c(c1)c(O)ccn2
• InChI: InChI=1S/C10H9NO2/c1-13-7-2-3-9-8(6-7)10(12)4-5-11-9/h2-6H,1H3,(H,11,12)
• InChIKey: RVTLXJLNIDCHKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxyquinolin-4-ol
• IUPAC Traditional name: 6-methoxyquinolin-4-ol
• Synonyms: 6-METHOXY-4-HYDROXYQUINOLINE

Database IDs

• CAS Number: 13788-72-2

CALCULATED PROPERTIES

• Acid pKa: 10.819472
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6687839
• LogD (pH = 7.4): 1.66949
• Log P: 1.6696639
• Molar Refractivity: 48.4234 cm^3
• Polarizability: 20.07148 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%