Cas no 198126-70-4 (Ethanone, 2-[4-(methylsulfonyl)phenyl]-1-phenyl-)

Ethanone, 2-[4-(methylsulfonyl)phenyl]-1-phenyl- structure
198126-70-4 structure
Product Name:Ethanone, 2-[4-(methylsulfonyl)phenyl]-1-phenyl-
CAS No:198126-70-4
MF:C15H14O3S
MW:274.334863185883
CID:1389989
PubChem ID:22285757
Update Time:2025-04-20

Ethanone, 2-[4-(methylsulfonyl)phenyl]-1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 2-[4-(methylsulfonyl)phenyl]-1-phenyl-
    • 2-(4-methylsulfonylphenyl)-1-phenylethanone
    • AKOS012501420
    • DTXSID00624386
    • 2-[4-(Methanesulfonyl)phenyl]-1-phenylethan-1-one
    • 198126-70-4
    • DIIBQSRZBCMWLA-UHFFFAOYSA-N
    • SCHEMBL6341279
    • 4-methylsulfonylphenyl-actophenone
    • Inchi: 1S/C15H14O3S/c1-19(17,18)14-9-7-12(8-10-14)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
    • InChI Key: DIIBQSRZBCMWLA-UHFFFAOYSA-N
    • SMILES: S(C)(C1C=CC(=CC=1)CC(C1C=CC=CC=1)=O)(=O)=O

Computed Properties

  • Exact Mass: 274.06642
  • Monoisotopic Mass: 274.06636548g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 394
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 59.6?2

Experimental Properties

  • PSA: 51.21
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