Cas no 62291-10-5 (2-Propanone, 1-(3-methylphenyl)-3-phenyl-)

2-Propanone, 1-(3-methylphenyl)-3-phenyl- structure
62291-10-5 structure
Product Name:2-Propanone, 1-(3-methylphenyl)-3-phenyl-
CAS No:62291-10-5
MF:C16H16O
MW:224.297644615173
CID:450578
PubChem ID:14882321
Update Time:2025-04-19

2-Propanone, 1-(3-methylphenyl)-3-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Propanone, 1-(3-methylphenyl)-3-phenyl-
    • 1-(3-methylphenyl)-3-phenylpropan-2-one
    • DTXSID20564977
    • SCHEMBL11181344
    • 62291-10-5
    • Inchi: 1S/C16H16O/c1-13-6-5-9-15(10-13)12-16(17)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3
    • InChI Key: LYJZWZPBRCVYIX-UHFFFAOYSA-N
    • SMILES: O=C(CC1C=CC=CC=1)CC1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 224.12018
  • Monoisotopic Mass: 224.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 240
  • 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: 3.5
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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