4,6-dimethylquinolin-2-ol

• ChemBase ID: 815866
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1cc2c(cc1C)c(cc(n2)O)C
• Canonical SMILES: Cc1ccc2c(c1)c(C)cc(n2)O
• InChI: InChI=1S/C11H11NO/c1-7-3-4-10-9(5-7)8(2)6-11(13)12-10/h3-6H,1-2H3,(H,12,13)
• InChIKey: LAQRPDPJOOMNHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethylquinolin-2-ol
• IUPAC Traditional name: 4,6-dimethylquinolin-2-ol
• Synonyms: 4,6-DIMETHYLQUINOLIN-2-OL

Database IDs

• CAS Number: 23947-37-7

CALCULATED PROPERTIES

• Acid pKa: 12.235421
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4486318
• LogD (pH = 7.4): 3.4486291
• Log P: 3.4486353
• Molar Refractivity: 52.3561 cm^3
• Polarizability: 21.123743 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%