6-ethoxy-4-methylquinolin-2-ol

• ChemBase ID: 813519
• Molecular Formular: C12H13NO2
• Molecular Mass: 203.23712
• Monoisotopic Mass: 203.09462866
• SMILES: c1cc2c(cc1OCC)c(cc(n2)O)C
• Canonical SMILES: CCOc1ccc2c(c1)c(C)cc(n2)O
• InChI: InChI=1S/C12H13NO2/c1-3-15-9-4-5-11-10(7-9)8(2)6-12(14)13-11/h4-7H,3H2,1-2H3,(H,13,14)
• InChIKey: IRJSBBPGUTUZLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxy-4-methylquinolin-2-ol
• IUPAC Traditional name: 6-ethoxy-4-methylquinolin-2-ol
• Synonyms: 6-ETHOXY-4-METHYLQUINOLIN-2-OL

Database IDs

• CAS Number: 380638-81-3

CALCULATED PROPERTIES

• Acid pKa: 12.244551
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1343474
• LogD (pH = 7.4): 3.1343446
• Log P: 3.1343508
• Molar Refractivity: 58.5267 cm^3
• Polarizability: 23.683023 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%