[2-chloro-2-(1-chloro-2-phenylethoxy)ethyl]benzene

• ChemBase ID: 797540
• Molecular Formular: C16H16Cl2O
• Molecular Mass: 295.20364
• Monoisotopic Mass: 294.05782049
• SMILES: O(C(Cl)Cc1ccccc1)C(Cl)Cc1ccccc1
• Canonical SMILES: ClC(Cc1ccccc1)OC(Cc1ccccc1)Cl
• InChI: InChI=1S/C16H16Cl2O/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
• InChIKey: GLYOPNLBKCBTMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-chloro-2-(1-chloro-2-phenylethoxy)ethyl]benzene
• IUPAC Traditional name: [2-chloro-2-(1-chloro-2-phenylethoxy)ethyl]benzene
• Synonyms: Benzylchloromethyl ether

Database IDs

• CAS Number: 3587-60-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3524833
• LogD (pH = 7.4): 5.3524833
• Log P: 5.3524833
• Molar Refractivity: 81.1035 cm^3
• Polarizability: 31.471895 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%