Cas no 129005-67-0 (2-Propen-1-one, 1,1'-(1,3-phenylene)bis[3-(4-methylphenyl)-)

2-Propen-1-one, 1,1'-(1,3-phenylene)bis[3-(4-methylphenyl)- structure
129005-67-0 structure
Product Name:2-Propen-1-one, 1,1'-(1,3-phenylene)bis[3-(4-methylphenyl)-
CAS No:129005-67-0
MF:C26H22O2
MW:366.451687335968
CID:1224301
PubChem ID:71340654
Update Time:2025-04-20

2-Propen-1-one, 1,1'-(1,3-phenylene)bis[3-(4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 3-(4-methylphenyl)-1-[3-[3-(4-methylphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
    • 1,1'-(1,3-Phenylene)bis[3-(4-methylphenyl)prop-2-en-1-one]
    • DTXSID90767796
    • 129005-67-0
    • 2-Propen-1-one, 1,1'-(1,3-phenylene)bis[3-(4-methylphenyl)-
    • Inchi: 1S/C26H22O2/c1-19-6-10-21(11-7-19)14-16-25(27)23-4-3-5-24(18-23)26(28)17-15-22-12-8-20(2)9-13-22/h3-18H,1-2H3
    • InChI Key: RHKNUQVWWWXZJP-UHFFFAOYSA-N
    • SMILES: O=C(C=CC1C=CC(C)=CC=1)C1C=CC=C(C(C=CC2C=CC(C)=CC=2)=O)C=1

Computed Properties

  • Exact Mass: 366.16206
  • Monoisotopic Mass: 366.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 6
  • Complexity: 521
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 6.2
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14

2-Propen-1-one, 1,1'-(1,3-phenylene)bis[3-(4-methylphenyl)- Related Literature

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