2-{[1-(4-chlorophenyl)ethoxy]methyl}oxirane

• ChemBase ID: 234391
• Molecular Formular: C11H13ClO2
• Molecular Mass: 212.67272
• Monoisotopic Mass: 212.06040734
• SMILES: O1C(C1)COC(c1ccc(cc1)Cl)C
• Canonical SMILES: CC(c1ccc(cc1)Cl)OCC1OC1
• InChI: InChI=1S/C11H13ClO2/c1-8(13-6-11-7-14-11)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3
• InChIKey: JGGQRANUJHVHLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[1-(4-chlorophenyl)ethoxy]methyl}oxirane
• IUPAC Traditional name: 2-{[1-(4-chlorophenyl)ethoxy]methyl}oxirane
• Synonyms: 2-{[1-(4-chlorophenyl)ethoxy]methyl}oxirane

Database IDs

• MDL Number: MFCD06357349
• PubChem SID: 164290301
• PubChem CID: 3388045

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.710909
• LogD (pH = 7.4): 2.710909
• Log P: 2.710909
• Molar Refractivity: 55.5934 cm^3
• Polarizability: 22.05729 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.663

Product Information

• Purity: 95%