2-benzyl-3-phenyloxirane

• ChemBase ID: 238238
• Molecular Formular: C15H14O
• Molecular Mass: 210.27106
• Monoisotopic Mass: 210.10446507
• SMILES: O1C(C1c1ccccc1)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CC1OC1c1ccccc1
• InChI: InChI=1S/C15H14O/c1-3-7-12(8-4-1)11-14-15(16-14)13-9-5-2-6-10-13/h1-10,14-15H,11H2
• InChIKey: ZMEQMWLSJBXCMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzyl-3-phenyloxirane
• IUPAC Traditional name: 2-benzyl-3-phenyloxirane
• Synonyms: 2-benzyl-3-phenyloxirane

Database IDs

• MDL Number: MFCD09731784
• PubChem SID: 164294148
• PubChem CID: 12385029

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8101661
• LogD (pH = 7.4): 3.8101661
• Log P: 3.8101661
• Molar Refractivity: 64.3641 cm^3
• Polarizability: 25.37588 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.373

Product Information

• Purity: 95%