6-(benzyloxy)quinoline

• ChemBase ID: 273441
• Molecular Formular: C16H13NO
• Molecular Mass: 235.28052
• Monoisotopic Mass: 235.09971404
• SMILES: n1c2c(cc(OCc3ccccc3)cc2)ccc1
• Canonical SMILES: c1ccc(cc1)COc1ccc2c(c1)cccn2
• InChI: InChI=1S/C16H13NO/c1-2-5-13(6-3-1)12-18-15-8-9-16-14(11-15)7-4-10-17-16/h1-11H,12H2
• InChIKey: LQNGSCMDXDEBEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(benzyloxy)quinoline
• IUPAC Traditional name: 6-(benzyloxy)quinoline
• Synonyms: 6-(benzyloxy)quinoline

Database IDs

• MDL Number: MFCD18483342
• PubChem SID: 164329351
• PubChem CID: 23156633

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6449366
• LogD (pH = 7.4): 3.6969922
• Log P: 3.6977024
• Molar Refractivity: 71.0551 cm^3
• Polarizability: 29.157562 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 73 - 75°C
• Hydrophobicity(logP): 4.092

Product Information

• Purity: 95%