2,2-bis(4-methoxyphenyl)-1,2-diphenylethan-1-one

• ChemBase ID: 162358
• Molecular Formular: C28H24O3
• Molecular Mass: 408.48836
• Monoisotopic Mass: 408.17254463
• SMILES: c1cc(ccc1C(C(=O)c1ccccc1)(c1ccc(cc1)OC)c1ccccc1)OC
• Canonical SMILES: COc1ccc(cc1)C(C(=O)c1ccccc1)(c1ccc(cc1)OC)c1ccccc1
• InChI: InChI=1S/C28H24O3/c1-30-25-17-13-23(14-18-25)28(22-11-7-4-8-12-22,24-15-19-26(31-2)20-16-24)27(29)21-9-5-3-6-10-21/h3-20H,1-2H3
• InChIKey: RYJABGGDHWJYNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-bis(4-methoxyphenyl)-1,2-diphenylethan-1-one
• IUPAC Traditional name: 2,2-bis(4-methoxyphenyl)-1,2-diphenylethanone
• Synonyms: 2,2-Bis(p-methoxyphenyl)-2-phenylacetophenone; 2,2-Bis(4-methoxyphenyl)-1,2-diphenylethanone

Database IDs

• CAS Number: 103281-33-0
• PubChem SID: 162256493
• PubChem CID: 71314091

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.416499
• LogD (pH = 7.4): 6.416499
• Log P: 6.416499
• Molar Refractivity: 124.2527 cm^3
• Polarizability: 47.925034 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: Yellow Solid

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - B489840

Intermediate in the preparation of Clomiphene (C587025) impurity.