2-chloro-7-methoxy-4-phenylquinoline

• ChemBase ID: 251106
• Molecular Formular: C16H12ClNO
• Molecular Mass: 269.72558
• Monoisotopic Mass: 269.06074169
• SMILES: c12nc(cc(c1ccc(c2)OC)c1ccccc1)Cl
• Canonical SMILES: COc1ccc2c(c1)nc(cc2c1ccccc1)Cl
• InChI: InChI=1S/C16H12ClNO/c1-19-12-7-8-13-14(11-5-3-2-4-6-11)10-16(17)18-15(13)9-12/h2-10H,1H3
• InChIKey: MENDVTKIYKLBNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-7-methoxy-4-phenylquinoline
• IUPAC Traditional name: 2-chloro-7-methoxy-4-phenylquinoline
• Synonyms: 2-chloro-7-methoxy-4-phenylquinoline

Database IDs

• MDL Number: MFCD04606928
• PubChem SID: 164307016
• PubChem CID: 2442209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.444661
• LogD (pH = 7.4): 4.4446764
• Log P: 4.4446764
• Molar Refractivity: 77.4448 cm^3
• Polarizability: 32.424675 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100 - 102°C
• Hydrophobicity(logP): 4.962

Product Information

• Purity: 95%