8-methoxy-2-methylquinolin-4-ol

• ChemBase ID: 239943
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: c12c(c(cc(n1)C)O)cccc2OC
• Canonical SMILES: COc1cccc2c1nc(C)cc2O
• InChI: InChI=1S/C11H11NO2/c1-7-6-9(13)8-4-3-5-10(14-2)11(8)12-7/h3-6H,1-2H3,(H,12,13)
• InChIKey: DJYYBMQABYVSBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2-methylquinolin-4-ol
• IUPAC Traditional name: 8-methoxy-2-methylquinolin-4-ol
• Synonyms: 8-methoxy-2-methylquinolin-4-ol; 4-HYDROXY-8-METHOXY-2-METHYLQUINOLINE

Database IDs

• CAS Number: 15644-89-0
• MDL Number: MFCD00272321
• PubChem SID: 164295853
• PubChem CID: 308133

CALCULATED PROPERTIES

• Acid pKa: 11.032402
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8009228
• LogD (pH = 7.4): 1.800933
• Log P: 1.8010341
• Molar Refractivity: 53.0149 cm^3
• Polarizability: 21.843096 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.13

Product Information

• Purity: 95%; 98%