Cas no 4224-96-8 (1-(4-methylphenyl)-3-phenylprop-2-en-1-one)

1-(4-methylphenyl)-3-phenylprop-2-en-1-one structure
4224-96-8 structure
Product Name:1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CAS No:4224-96-8
MF:C16H14O
MW:222.281764507294
CID:1516846
PubChem ID:5376379
Update Time:2025-04-21

1-(4-methylphenyl)-3-phenylprop-2-en-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(4-methylphenyl)-3-phenylprop-2-en-1-one
    • 4'-Methyl-3-phenylacrylophenone
    • D97655
    • NSC-6843
    • NSC240002
    • AE-641/00012056
    • BDBM50278865
    • TS-00529
    • M2777
    • AKOS005607952
    • 2-Propen-1-one, 1-(4-methylphenyl)-3-phenyl-
    • (E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
    • SCHEMBL77498
    • 3-Phenyl-1-(p-tolyl)prop-2-en-1-one
    • Chalcone, 4'-methyl-
    • WR-072952
    • (E)-3-Phenyl-1-p-tolylprop-2-en-1-one
    • STK804638
    • CHEMBL450678
    • 3-phenyl-1-p-tolylprop-2-en-1-one
    • 1-(4-methylphenyl)-3-phenyl-2-propen-1-one
    • (2E)-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
    • (E)-3-phenyl-1-(p-tolyl)prop-2-en-1-one
    • 4'-Methylchalcone
    • (2E)-1-(4-Methylphenyl)-3-phenyl-2-propen-1-one #
    • 14802-30-3
    • MFCD00027612
    • (E)-4'-Methylchalcone
    • (2E)-1-(4-Methylphenyl)-3-phenyl-2-propen-1-one
    • 2-Propen-1-one, 1-(4-methylphenyl)-3-phenyl-, (2E)-
    • NSC-240002
    • SSXZWAYXQSKEMV-FMIVXFBMSA-N
    • p-Tolyl styryl ketone
    • NSC6843
    • 4224-96-8
    • MDL: MFCD00027612
    • Inchi: 1S/C16H14O/c1-13-7-10-15(11-8-13)16(17)12-9-14-5-3-2-4-6-14/h2-12H,1H3/b12-9+
    • InChI Key: SSXZWAYXQSKEMV-FMIVXFBMSA-N
    • SMILES: O=C(/C=C/C1C=CC=CC=1)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 222.10452
  • Monoisotopic Mass: 222.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 265
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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