2-[(diphenylmethoxy)methyl]oxirane

• ChemBase ID: 234386
• Molecular Formular: C16H16O2
• Molecular Mass: 240.29704
• Monoisotopic Mass: 240.11502975
• SMILES: O1C(C1)COC(c1ccccc1)c1ccccc1
• Canonical SMILES: O(C(c1ccccc1)c1ccccc1)CC1OC1
• InChI: InChI=1S/C16H16O2/c1-3-7-13(8-4-1)16(18-12-15-11-17-15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
• InChIKey: AMFIUYBZYJZWAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(diphenylmethoxy)methyl]oxirane
• IUPAC Traditional name: 2-[(diphenylmethoxy)methyl]oxirane
• Synonyms: 2-[(benzhydryloxy)methyl]oxirane

Database IDs

• MDL Number: MFCD06356502
• PubChem SID: 164290296
• PubChem CID: 3248470

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4745293
• LogD (pH = 7.4): 3.4745293
• Log P: 3.4745293
• Molar Refractivity: 70.6526 cm^3
• Polarizability: 27.951584 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.989

Product Information

• Purity: 95%