2-methylbenzo[h]quinolin-4-ol

• ChemBase ID: 113877
• Molecular Formular: C14H11NO
• Molecular Mass: 209.24324
• Monoisotopic Mass: 209.08406398
• SMILES: c12c(c(cc(n1)C)O)ccc1c2cccc1
• Canonical SMILES: Cc1cc(O)c2c(n1)c1ccccc1cc2
• InChI: InChI=1S/C14H11NO/c1-9-8-13(16)12-7-6-10-4-2-3-5-11(10)14(12)15-9/h2-8H,1H3,(H,15,16)
• InChIKey: DTKJUQZMLGXZJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylbenzo[h]quinolin-4-ol
• IUPAC Traditional name: 2-methylbenzo[h]quinolin-4-ol
• Synonyms: 2-Methyl-benzo[h]quinolin-4-ol

Database IDs

• CAS Number: 3919-49-1
• MDL Number: MFCD00122517
• PubChem SID: 162098898
• PubChem CID: 292946

CALCULATED PROPERTIES

• Acid pKa: 10.585473
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.947826
• LogD (pH = 7.4): 2.947899
• Log P: 2.948182
• Molar Refractivity: 63.0019 cm^3
• Polarizability: 26.991358 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.314

Product Information

• Purity: 95+%