5,8-dimethylquinolin-4-ol

• ChemBase ID: 816053
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1c(c2c(c(c1)C)c(ccn2)O)C
• Canonical SMILES: Cc1ccc(c2c1c(O)ccn2)C
• InChI: InChI=1S/C11H11NO/c1-7-3-4-8(2)11-10(7)9(13)5-6-12-11/h3-6H,1-2H3,(H,12,13)
• InChIKey: JLOYAQFVPXIJKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-dimethylquinolin-4-ol
• IUPAC Traditional name: 5,8-dimethylquinolin-4-ol
• Synonyms: 5,8-DIMETHYL-4-QUINOLINOL

Database IDs

• CAS Number: 203626-57-7

CALCULATED PROPERTIES

• Acid pKa: 10.960322
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8527277
• LogD (pH = 7.4): 2.8540416
• Log P: 2.854178
• Molar Refractivity: 52.0426 cm^3
• Polarizability: 21.12443 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%