2,5,7-trimethylquinolin-8-ol

• ChemBase ID: 310629
• Molecular Formular: C12H13NO
• Molecular Mass: 187.23772
• Monoisotopic Mass: 187.09971404
• SMILES: c12nc(ccc1c(cc(c2O)C)C)C
• Canonical SMILES: Cc1ccc2c(n1)c(O)c(cc2C)C
• InChI: InChI=1S/C12H13NO/c1-7-6-8(2)12(14)11-10(7)5-4-9(3)13-11/h4-6,14H,1-3H3
• InChIKey: UPPOGIWKARTVGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,7-trimethylquinolin-8-ol
• IUPAC Traditional name: 2,5,7-trimethylquinolin-8-ol
• Synonyms: 2,5,7-trimethyl-8-quinolinol

Database IDs

• CAS Number: 6759-80-4
• MDL Number: MFCD00168977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1326952
• LogD (pH = 7.4): 2.941428
• Log P: 2.985548
• Molar Refractivity: 56.6341 cm^3
• Polarizability: 22.892656 Å^3
• Polar Surface Area: 33.12 Å^2