Cas no 1678-17-7 (1,3,5-Pentanetrione,1-(4-methoxyphenyl)-5-phenyl-)

1,3,5-Pentanetrione,1-(4-methoxyphenyl)-5-phenyl- structure
1678-17-7 structure
Product Name:1,3,5-Pentanetrione,1-(4-methoxyphenyl)-5-phenyl-
CAS No:1678-17-7
MF:C18H16O4
MW:296.317245483398
CID:162290
PubChem ID:237442
Update Time:2025-04-19

1,3,5-Pentanetrione,1-(4-methoxyphenyl)-5-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 1,3,5-Pentanetrione,1-(4-methoxyphenyl)-5-phenyl-
    • 1-(4-METHOXYPHENYL)-5-PHENYL-1,3,5-PENTANETRIONE
    • 1-(4-methoxyphenyl)-5-phenylpentane-1,3,5-trione
    • 1-(4-Methoxy-phenyl)-5-phenyl-penten-1,3,5-trion
    • 1-(p-Methoxyphenyl)-5-phenyl-pentantrion-(1,3,5)
    • 1-Phenyl-5-(4-methoxy-phenyl)-1,3,5-pentantrion
    • 5-Phenyl-1-(4-methoxy-phenyl)-pentantrion-(1,3,5)
    • AC1L5YSZ
    • AR-1B2199
    • CTK4D2770
    • KST-1B1520
    • NSC40938
    • FT-0659476
    • LNAFUYNMMGWAEX-UHFFFAOYSA-N
    • NSC-40938
    • A810907
    • 1678-17-7
    • 1,3,5-Pentanethione, 1-(4-methoxyphenyl)-5-phenyl
    • DTXSID40285197
    • 1-(4-Methoxyphenyl)-5-phenyl-1,3,5-pentanetrione #
    • Inchi： 1S/C18H16O4/c1-22-16-9-7-14(8-10-16)18(21)12-15(19)11-17(20)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
    • InChI Key： LNAFUYNMMGWAEX-UHFFFAOYSA-N
    • SMILES： O=C(CC(C1C=CC=CC=1)=O)CC(C1C=CC(=CC=1)OC)=O

Computed Properties

  • Exact Mass: 296.10488
  • Monoisotopic Mass: 296.105
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 401
  • 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: 2.9
  • Topological Polar Surface Area: 60.4?2

Experimental Properties

  • Density: 1.18
  • Boiling Point: 475.1°Cat760mmHg
  • Flash Point: 210.9°C
  • Refractive Index: 1.565
  • PSA: 60.44
  • LogP: 3.11010

1,3,5-Pentanetrione,1-(4-methoxyphenyl)-5-phenyl- Related Literature

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