6,7-dimethylquinolin-4-ol

• ChemBase ID: 816054
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1(cc2c(cc1C)c(ccn2)O)C
• Canonical SMILES: Cc1cc2c(O)ccnc2cc1C
• InChI: InChI=1S/C11H11NO/c1-7-5-9-10(6-8(7)2)12-4-3-11(9)13/h3-6H,1-2H3,(H,12,13)
• InChIKey: IRWJBEDRUKAGBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethylquinolin-4-ol
• IUPAC Traditional name: 6,7-dimethylquinolin-4-ol
• Synonyms: 6,7-DIMETHYL-4-HYDROXYQUINOLINE

Database IDs

• CAS Number: 185437-33-6

CALCULATED PROPERTIES

• Acid pKa: 10.9383955
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8526196
• LogD (pH = 7.4): 2.8540342
• Log P: 2.854178
• Molar Refractivity: 52.0426 cm^3
• Polarizability: 21.122366 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%