2-[4-(benzyloxy)phenyl]oxirane

• ChemBase ID: 260342
• Molecular Formular: C15H14O2
• Molecular Mass: 226.27046
• Monoisotopic Mass: 226.09937969
• SMILES: O1C(C1)c1ccc(OCc2ccccc2)cc1
• Canonical SMILES: O1CC1c1ccc(cc1)OCc1ccccc1
• InChI: InChI=1S/C15H14O2/c1-2-4-12(5-3-1)10-16-14-8-6-13(7-9-14)15-11-17-15/h1-9,15H,10-11H2
• InChIKey: KTFPWENWGCSNHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(benzyloxy)phenyl]oxirane
• IUPAC Traditional name: 2-[4-(benzyloxy)phenyl]oxirane
• Synonyms: 2-[4-(benzyloxy)phenyl]oxirane

Database IDs

• MDL Number: MFCD09734346
• PubChem SID: 164316252
• PubChem CID: 13248717

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3040664
• LogD (pH = 7.4): 3.3040664
• Log P: 3.3040664
• Molar Refractivity: 66.4021 cm^3
• Polarizability: 26.089588 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.973

Product Information

• Purity: 95%