6-ethylquinolin-4-ol

• ChemBase ID: 813129
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1cc2c(cc1CC)c(ccn2)O
• Canonical SMILES: CCc1ccc2c(c1)c(O)ccn2
• InChI: InChI=1S/C11H11NO/c1-2-8-3-4-10-9(7-8)11(13)5-6-12-10/h3-7H,2H2,1H3,(H,12,13)
• InChIKey: BXKNYSZMAPLOOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-ethylquinolin-4-ol
• IUPAC Traditional name: 6-ethylquinolin-4-ol
• Synonyms: 6-ETHYL-4-HYDROXYQUINOLINE

Database IDs

• CAS Number: 303121-13-3

CALCULATED PROPERTIES

• Acid pKa: 10.824146
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7843976
• LogD (pH = 7.4): 2.7851524
• Log P: 2.7853253
• Molar Refractivity: 51.6024 cm^3
• Polarizability: 21.204725 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%