methyl 2,2-diphenylcyclopropane-1-carboxylate

• ChemBase ID: 309817
• Molecular Formular: C17H16O2
• Molecular Mass: 252.30774
• Monoisotopic Mass: 252.11502975
• SMILES: C1(C(C1)C(=O)OC)(c1ccccc1)c1ccccc1
• Canonical SMILES: COC(=O)C1CC1(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H16O2/c1-19-16(18)15-12-17(15,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
• InChIKey: RDCBDWDNFBAQJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2,2-diphenylcyclopropane-1-carboxylate
• IUPAC Traditional name: methyl 2,2-diphenylcyclopropane-1-carboxylate
• Synonyms: methyl 2,2-diphenylcyclopropanecarboxylate

Database IDs

• MDL Number: MFCD00543344

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5570188
• LogD (pH = 7.4): 3.5570188
• Log P: 3.5570188
• Molar Refractivity: 84.5201 cm^3
• Polarizability: 29.179234 Å^3
• Polar Surface Area: 26.3 Å^2