6-chloro-2,8-dimethylquinolin-4-ol

• ChemBase ID: 816027
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: c1c(c2c(cc1Cl)c(cc(n2)C)O)C
• Canonical SMILES: Clc1cc(C)c2c(c1)c(O)cc(n2)C
• InChI: InChI=1S/C11H10ClNO/c1-6-3-8(12)5-9-10(14)4-7(2)13-11(6)9/h3-5H,1-2H3,(H,13,14)
• InChIKey: PLHFDOQNTFNGTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,8-dimethylquinolin-4-ol
• IUPAC Traditional name: 6-chloro-2,8-dimethylquinolin-4-ol
• Synonyms: 6-CHLORO-2,8-DIMETHYL-4-QUINOLINOL

Database IDs

• CAS Number: 21629-49-2

CALCULATED PROPERTIES

• Acid pKa: 10.901981
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0759149
• LogD (pH = 7.4): 3.0760336
• Log P: 3.0761714
• Molar Refractivity: 56.3977 cm^3
• Polarizability: 22.9352 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%