1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene

• ChemBase ID: 263093
• Molecular Formular: C14H12ClFO
• Molecular Mass: 250.6958832
• Monoisotopic Mass: 250.0560709
• SMILES: O(c1ccc(cc1)CCl)Cc1ccc(F)cc1
• Canonical SMILES: ClCc1ccc(cc1)OCc1ccc(cc1)F
• InChI: InChI=1S/C14H12ClFO/c15-9-11-3-7-14(8-4-11)17-10-12-1-5-13(16)6-2-12/h1-8H,9-10H2
• InChIKey: HWBDTYKIMZPAJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
• IUPAC Traditional name: 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
• Synonyms: 1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene

Database IDs

• MDL Number: MFCD11122343
• PubChem SID: 164319003
• PubChem CID: 22280023

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.269992
• LogD (pH = 7.4): 4.269992
• Log P: 4.269992
• Molar Refractivity: 67.2171 cm^3
• Polarizability: 25.7477 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 57 - 59°C
• Hydrophobicity(logP): 4.534

Product Information

• Purity: 95%