8-methoxy-6-methylquinolin-4-ol

• ChemBase ID: 116074
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: c12c(c(cc(c1)C)OC)nccc2O
• Canonical SMILES: COc1cc(C)cc2c1nccc2O
• InChI: InChI=1S/C11H11NO2/c1-7-5-8-9(13)3-4-12-11(8)10(6-7)14-2/h3-6H,1-2H3,(H,12,13)
• InChIKey: GGLHKVAEYHPPGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-6-methylquinolin-4-ol
• IUPAC Traditional name: 8-methoxy-6-methylquinolin-4-ol
• Synonyms: 8-methoxy-6-methylquinolin-4-ol

Database IDs

• MDL Number: MFCD19685383
• PubChem SID: 162100927
• PubChem CID: 839319

CALCULATED PROPERTIES

• Acid pKa: 11.101499
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1830213
• LogD (pH = 7.4): 2.1829994
• Log P: 2.1830852
• Molar Refractivity: 53.4646 cm^3
• Polarizability: 21.843248 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.124

Product Information

• Purity: 95+%