2-{[bis(4-chlorophenyl)methoxy]methyl}oxirane

• ChemBase ID: 255744
• Molecular Formular: C16H14Cl2O2
• Molecular Mass: 309.18716
• Monoisotopic Mass: 308.03708505
• SMILES: O1C(C1)COC(c1ccc(cc1)Cl)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C(c1ccc(cc1)Cl)OCC1OC1
• InChI: InChI=1S/C16H14Cl2O2/c17-13-5-1-11(2-6-13)16(20-10-15-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2
• InChIKey: GKWPFUSVMXXVND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[bis(4-chlorophenyl)methoxy]methyl}oxirane
• IUPAC Traditional name: 2-{[bis(4-chlorophenyl)methoxy]methyl}oxirane
• Synonyms: 2-{[bis(4-chlorophenyl)methoxy]methyl}oxirane

Database IDs

• MDL Number: MFCD10686686
• PubChem SID: 164311654
• PubChem CID: 43810597

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6826186
• LogD (pH = 7.4): 4.6826186
• Log P: 4.6826186
• Molar Refractivity: 80.2622 cm^3
• Polarizability: 31.667109 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.415

Product Information

• Purity: 95%