8-ethylquinolin-4-ol

• ChemBase ID: 815872
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1c(c2c(cc1)c(ccn2)O)CC
• Canonical SMILES: CCc1cccc2c1nccc2O
• InChI: InChI=1S/C11H11NO/c1-2-8-4-3-5-9-10(13)6-7-12-11(8)9/h3-7H,2H2,1H3,(H,12,13)
• InChIKey: YBQQVKSIRLQGQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethylquinolin-4-ol
• IUPAC Traditional name: 8-ethylquinolin-4-ol
• Synonyms: 8-ETHYL-4-QUINOLINOL

Database IDs

• CAS Number: 23096-83-5

CALCULATED PROPERTIES

• Acid pKa: 10.896036
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.784597
• LogD (pH = 7.4): 2.7851796
• Log P: 2.7853253
• Molar Refractivity: 51.6024 cm^3
• Polarizability: 21.20638 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%