6-ethyl-4-methylquinolin-2-ol

• ChemBase ID: 804510
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: c1cc2c(cc1CC)c(cc(n2)O)C
• Canonical SMILES: CCc1ccc2c(c1)c(C)cc(n2)O
• InChI: InChI=1S/C12H13NO/c1-3-9-4-5-11-10(7-9)8(2)6-12(14)13-11/h4-7H,3H2,1-2H3,(H,13,14)
• InChIKey: JFYWBUOEUUZAEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethyl-4-methylquinolin-2-ol
• IUPAC Traditional name: 6-ethyl-4-methylquinolin-2-ol
• Synonyms: 6-ETHYL-4-METHYLQUINOLIN-2-OL

Database IDs

• CAS Number: 51592-38-2

CALCULATED PROPERTIES

• Acid pKa: 12.20902
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8932004
• LogD (pH = 7.4): 3.8931973
• Log P: 3.8932042
• Molar Refractivity: 56.9571 cm^3
• Polarizability: 22.970022 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%