2,3-dimethylquinolin-4-ol

• ChemBase ID: 804765
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1cc2c(cc1)c(c(c(n2)C)C)O
• Canonical SMILES: Cc1c(C)nc2c(c1O)cccc2
• InChI: InChI=1S/C11H11NO/c1-7-8(2)12-10-6-4-3-5-9(10)11(7)13/h3-6H,1-2H3,(H,12,13)
• InChIKey: ZCHAUSWCWZYCNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dimethylquinolin-4-ol
• IUPAC Traditional name: 2,3-dimethylquinolin-4-ol
• Synonyms: 2,3-DIMETHYLQUINOLIN-4-OL

Database IDs

• CAS Number: 10352-60-0

CALCULATED PROPERTIES

• Acid pKa: 11.153673
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4679694
• LogD (pH = 7.4): 2.471998
• Log P: 2.4721267
• Molar Refractivity: 51.5929 cm^3
• Polarizability: 21.123322 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%