6-ethyl-2-methylquinolin-4-ol

• ChemBase ID: 816057
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: c1cc2c(cc1CC)c(cc(n2)C)O
• Canonical SMILES: CCc1ccc2c(c1)c(O)cc(n2)C
• InChI: InChI=1S/C12H13NO/c1-3-9-4-5-11-10(7-9)12(14)6-8(2)13-11/h4-7H,3H2,1-2H3,(H,13,14)
• InChIKey: SATXLRUGTDDSCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 62510-40-1

CALCULATED PROPERTIES

• Acid pKa: 10.987322
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.914362
• LogD (pH = 7.4): 2.916555
• Log P: 2.9166954
• Molar Refractivity: 56.1939 cm^3
• Polarizability: 22.968884 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%