6-ethoxyquinolin-4-ol

• ChemBase ID: 813127
• Molecular Formular: C11H11NO2
• Molecular Mass: 189.21054
• Monoisotopic Mass: 189.0789786
• SMILES: c1cc2c(cc1OCC)c(ccn2)O
• Canonical SMILES: CCOc1ccc2c(c1)c(O)ccn2
• InChI: InChI=1S/C11H11NO2/c1-2-14-8-3-4-10-9(7-8)11(13)5-6-12-10/h3-7H,2H2,1H3,(H,12,13)
• InChIKey: SIECPAIJDHEXAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethoxyquinolin-4-ol
• IUPAC Traditional name: 6-ethoxyquinolin-4-ol
• Synonyms: 6-ETHOXY-QUINOLIN-4-OL

Database IDs

• CAS Number: 303121-11-1

CALCULATED PROPERTIES

• Acid pKa: 10.813447
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0255973
• LogD (pH = 7.4): 2.0262957
• Log P: 2.0264719
• Molar Refractivity: 53.172 cm^3
• Polarizability: 21.917063 Å^3
• Polar Surface Area: 42.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%