methyl 2,2,2-triphenylacetate

• ChemBase ID: 112252
• Molecular Formular: C21H18O2
• Molecular Mass: 302.36642
• Monoisotopic Mass: 302.13067982
• SMILES: COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C21H18O2/c1-23-20(22)21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
• InChIKey: ZPGOQUZHRVSLML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2,2,2-triphenylacetate
• IUPAC Traditional name: methyl 2,2,2-triphenylacetate
• Synonyms: 2-TRIPHENYL METHYL ACETIC ACID

Database IDs

• CAS Number: 5467-21-0
• PubChem SID: 162097303
• PubChem CID: 231627

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.1234965
• LogD (pH = 7.4): 5.1234965
• Log P: 5.1234965
• Molar Refractivity: 92.2783 cm^3
• Polarizability: 35.84838 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05223154

MP Biomedicals Rare Chemical collection