2-(2-chlorophenoxymethyl)oxirane

• ChemBase ID: 251428
• Molecular Formular: C9H9ClO2
• Molecular Mass: 184.61956
• Monoisotopic Mass: 184.02910721
• SMILES: O1C(C1)COc1c(Cl)cccc1
• Canonical SMILES: Clc1ccccc1OCC1CO1
• InChI: InChI=1S/C9H9ClO2/c10-8-3-1-2-4-9(8)12-6-7-5-11-7/h1-4,7H,5-6H2
• InChIKey: IYFFPRFMOMGBGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenoxymethyl)oxirane
• IUPAC Traditional name: 2-(2-chlorophenoxymethyl)oxirane
• Synonyms: 2-(2-chlorophenoxymethyl)oxirane

Database IDs

• MDL Number: MFCD00022340
• PubChem SID: 164307338
• PubChem CID: 137500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.260886
• LogD (pH = 7.4): 2.260886
• Log P: 2.260886
• Molar Refractivity: 46.0707 cm^3
• Polarizability: 18.399544 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.251

Product Information

• Purity: 95%