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

• ChemBase ID: 87871
• Molecular Formular: C11H10ClNO
• Molecular Mass: 207.6562
• Monoisotopic Mass: 207.04509163
• SMILES: n1c(cc(c2ccc(c(c12)C)Cl)O)C
• Canonical SMILES: Cc1cc(O)c2c(n1)c(C)c(cc2)Cl
• InChI: InChI=1S/C11H10ClNO/c1-6-5-10(14)8-3-4-9(12)7(2)11(8)13-6/h3-5H,1-2H3,(H,13,14)
• InChIKey: LOJPYUFGOCWEHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-2,8-dimethylquinolin-4-ol
• IUPAC Traditional name: 7-chloro-2,8-dimethylquinolin-4-ol
• Synonyms: 7-Chloro-2,8-dimethylquinolin-4-ol; 7-Chloro-2,8-dimethyl-4-hydroxyquinoline; 7-Chloro-2,8-dimethylquinolin-4-ol

Database IDs

• CAS Number: 21629-48-1
• MDL Number: MFCD00272338
• PubChem SID: 162074911
• PubChem CID: 339445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0757968
• LogD (pH = 7.4): 3.076076
• Log P: 3.0761714
• Molar Refractivity: 56.3977 cm^3
• Polarizability: 22.941256 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 11.073881

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%; 98%