2,8-dimethylquinolin-4-ol

• ChemBase ID: 239861
• Molecular Formular: C11H11NO
• Molecular Mass: 173.21114
• Monoisotopic Mass: 173.08406398
• SMILES: c12c(c(cc(n1)C)O)cccc2C
• Canonical SMILES: Cc1cc(O)c2c(n1)c(C)ccc2
• InChI: InChI=1S/C11H11NO/c1-7-4-3-5-9-10(13)6-8(2)12-11(7)9/h3-6H,1-2H3,(H,12,13)
• InChIKey: QUHJYDMHDWSZIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-dimethylquinolin-4-ol
• IUPAC Traditional name: 2,8-dimethylquinolin-4-ol
• Synonyms: 2,8-dimethylquinolin-4-ol; 2,8-DIMETHYL-4-HYDROXYQUINOLINE

Database IDs

• CAS Number: 15644-80-1
• MDL Number: MFCD00100264
• PubChem SID: 164295771
• PubChem CID: 233217

CALCULATED PROPERTIES

• Acid pKa: 11.084124
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4701958
• LogD (pH = 7.4): 2.4720135
• Log P: 2.4721267
• Molar Refractivity: 51.5929 cm^3
• Polarizability: 21.124163 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.314

Product Information

• Purity: 95%; 98%