7-methoxy-4-methylquinolin-2-ol

• ChemBase ID: 231719
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: c12nc(cc(c1ccc(c2)OC)C)O
• Canonical SMILES: COc1ccc2c(c1)nc(cc2C)O
• InChI: InChI=1S/C11H11NO2/c1-7-5-11(13)12-10-6-8(14-2)3-4-9(7)10/h3-6H,1-2H3,(H,12,13)
• InChIKey: MXLWDNBRJGOMLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-4-methylquinolin-2-ol
• IUPAC Traditional name: 7-methoxy-4-methylquinolin-2-ol
• Synonyms: 7-Methoxy-4-methyl-quinolin-2-ol

Database IDs

• CAS Number: 40053-37-0
• MDL Number: MFCD00711756
• PubChem SID: 164287629
• PubChem CID: 761548

CALCULATED PROPERTIES

• Acid pKa: 12.040076
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.777538
• LogD (pH = 7.4): 2.7775328
• Log P: 2.7775428
• Molar Refractivity: 53.7781 cm^3
• Polarizability: 21.837132 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200 - 202°C
• Hydrophobicity(logP): 3.13

Product Information

• Purity: 95%