(2-phenylquinolin-7-yl)methanol

• ChemBase ID: 289032
• Molecular Formular: C16H13NO
• Molecular Mass: 235.28052
• Monoisotopic Mass: 235.09971404
• SMILES: OCc1ccc2ccc(c3ccccc3)nc2c1
• Canonical SMILES: OCc1ccc2c(c1)nc(cc2)c1ccccc1
• InChI: InChI=1S/C16H13NO/c18-11-12-6-7-14-8-9-15(17-16(14)10-12)13-4-2-1-3-5-13/h1-10,18H,11H2
• InChIKey: CHBAQKQRKRDVHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylquinolin-7-yl)methanol
• IUPAC Traditional name: (2-phenylquinolin-7-yl)methanol
• Synonyms: (2-Phenylquinolin-7-yl)methanol

Database IDs

• CAS Number: 361457-37-6
• MDL Number: MFCD12924848
• PubChem SID: 180674563
• PubChem CID: 22062823

CALCULATED PROPERTIES

• Acid pKa: 14.88134
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3933506
• LogD (pH = 7.4): 3.396585
• Log P: 3.3966265
• Molar Refractivity: 71.5594 cm^3
• Polarizability: 30.554016 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%