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

• ChemBase ID: 815785
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: c1c(c2c(c(c1)Cl)c(cc(n2)C)O)C
• Canonical SMILES: Cc1cc(O)c2c(n1)c(C)ccc2Cl
• InChI: InChI=1S/C11H10ClNO/c1-6-3-4-8(12)10-9(14)5-7(2)13-11(6)10/h3-5H,1-2H3,(H,13,14)
• InChIKey: PCKJRUQECXKAOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2,8-dimethylquinolin-4-ol
• IUPAC Traditional name: 5-chloro-2,8-dimethylquinolin-4-ol
• Synonyms: 5-CHLORO-2,8-DIMETHYL-4-QUINOLINOL

Database IDs

• CAS Number: 21629-50-5

CALCULATED PROPERTIES

• Acid pKa: 10.613681
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.075664
• LogD (pH = 7.4): 3.075904
• Log P: 3.0761714
• Molar Refractivity: 56.3977 cm^3
• Polarizability: 22.949726 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%