6-methoxy-2-methylquinolin-4-ol

• ChemBase ID: 87882
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: n1c(cc(c2cc(ccc12)OC)O)C
• Canonical SMILES: COc1ccc2c(c1)c(O)cc(n2)C
• InChI: InChI=1S/C11H11NO2/c1-7-5-11(13)9-6-8(14-2)3-4-10(9)12-7/h3-6H,1-2H3,(H,12,13)
• InChIKey: JEFIWGFOCYLOLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methylquinolin-4-ol
• IUPAC Traditional name: 6-methoxy-2-methylquinolin-4-ol
• Synonyms: 6-Methoxy-2-methyl-quinolin-4-ol; 6-Methoxy-2-methylquinolin-4-ol; 4-Hydroxy-6-methoxy-2-methylquinoline; 6-METHOXY-2-METHYLQUINOLIN-4-OL

Database IDs

• CAS Number: 15644-90-3
• MDL Number: MFCD00272322
• PubChem SID: 162074922
• PubChem CID: 316987

CALCULATED PROPERTIES

• Acid pKa: 10.981744
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7988791
• LogD (pH = 7.4): 1.8008944
• Log P: 1.8010341
• Molar Refractivity: 53.0149 cm^3
• Polarizability: 21.83636 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 284 - 286°C
• Partition Coefficient: 2.087
• Hydrophobicity(logP): 3.13

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%; 95+%; 98%