2,7-dimethylquinolin-4-ol

• ChemBase ID: 813497
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c1(cc2c(cc1)c(cc(n2)C)O)C
• Canonical SMILES: Cc1ccc2c(c1)nc(cc2O)C
• InChI: InChI=1S/C11H11NO/c1-7-3-4-9-10(5-7)12-8(2)6-11(9)13/h3-6H,1-2H3,(H,12,13)
• InChIKey: PHJAVNZUFBCHEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dimethylquinolin-4-ol
• IUPAC Traditional name: 2,7-dimethylquinolin-4-ol
• Synonyms: 2,7-DIMETHYL-4-QUINOLINOL

Database IDs

• CAS Number: 15644-84-5

CALCULATED PROPERTIES

• Acid pKa: 10.882013
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4689121
• LogD (pH = 7.4): 2.4719443
• Log P: 2.4721267
• Molar Refractivity: 51.5929 cm^3
• Polarizability: 21.122358 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%