2-(4-phenoxyphenoxymethyl)oxirane

• ChemBase ID: 251430
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: O1C(C1)COc1ccc(Oc2ccccc2)cc1
• Canonical SMILES: O1CC1COc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C15H14O3/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)16-10-15-11-17-15/h1-9,15H,10-11H2
• InChIKey: JLMPGCFZWRLQMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenoxyphenoxymethyl)oxirane
• IUPAC Traditional name: 2-(4-phenoxyphenoxymethyl)oxirane
• Synonyms: 2-[(4-phenoxyphenoxy)methyl]oxirane

Database IDs

• MDL Number: MFCD09863260
• PubChem SID: 164307340
• PubChem CID: 15590006

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1571283
• LogD (pH = 7.4): 3.1571283
• Log P: 3.1571283
• Molar Refractivity: 67.5067 cm^3
• Polarizability: 26.817831 Å^3
• Polar Surface Area: 30.99 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.726

Product Information

• Purity: 95%