2-chloro-4-phenylquinoline

• ChemBase ID: 251069
• Molecular Formular: C15H10ClN
• Molecular Mass: 239.6996
• Monoisotopic Mass: 239.05017701
• SMILES: c1(c2c(nc(c1)Cl)cccc2)c1ccccc1
• Canonical SMILES: Clc1nc2ccccc2c(c1)c1ccccc1
• InChI: InChI=1S/C15H10ClN/c16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10H
• InChIKey: OBMBUODDCOAJQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-phenylquinoline
• IUPAC Traditional name: 2-chloro-4-phenylquinoline
• Synonyms: 2-chloro-4-phenylquinoline

Database IDs

• CAS Number: 5855-56-1
• MDL Number: MFCD00451096
• PubChem SID: 164306979
• PubChem CID: 2306687

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.602341
• LogD (pH = 7.4): 4.6023474
• Log P: 4.602348
• Molar Refractivity: 70.9816 cm^3
• Polarizability: 29.98041 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 86 - 88°C
• Hydrophobicity(logP): 4.714

Product Information

• Purity: 95%