5-methylquinolin-8-ol

• ChemBase ID: 310811
• Molecular Formular: C10H9NO
• Molecular Mass: 159.18456
• Monoisotopic Mass: 159.06841391
• SMILES: c12c(c(ccc2O)C)cccn1
• Canonical SMILES: Cc1ccc(c2c1cccn2)O
• InChI: InChI=1S/C10H9NO/c1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-6,12H,1H3
• InChIKey: RPVGLMKJGQMQSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylquinolin-8-ol
• IUPAC Traditional name: 5-methyl-8-quinolinol
• Synonyms: 5-methyl-8-quinolinol

Database IDs

• CAS Number: 5541-67-3
• MDL Number: MFCD00864652

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1661825
• LogD (pH = 7.4): 2.3341966
• Log P: 2.3407567
• Molar Refractivity: 47.0014 cm^3
• Polarizability: 19.363829 Å^3
• Polar Surface Area: 33.12 Å^2