Cas no 6327-79-3 (1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione)

1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione structure
6327-79-3 structure
Product Name:1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CAS No:6327-79-3
MF:C16H14O3
MW:254.280564785004
CID:1649576
PubChem ID:96069
Update Time:2025-04-21

1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione Chemical and Physical Properties

Names and Identifiers

    • 1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
    • 1,3-Propanedione, 1-(4-methoxyphenyl)-3-phenyl-
    • MLS001178582
    • AB00073861-01
    • CHEMBL1725917
    • SR-01000195520
    • 6327-79-3
    • NSC50394
    • CWWFKNYDPAANEP-UHFFFAOYSA-N
    • Cambridge id 5108222
    • HMS2805N22
    • SMR000475980
    • SR-01000195520-1
    • 1-(4-Methoxyphenyl)-3-phenyl-1,3-propanedione
    • NSC-50394
    • NSC 50394
    • CBDivE_000652
    • DTXSID90212670
    • SCHEMBL747850
    • 1-phenyl-3-(p-methoxyphenyl)-1,3-propanedione
    • p-Methoxydibenzoylmethan
    • Inchi: 1S/C16H14O3/c1-19-14-9-7-13(8-10-14)16(18)11-15(17)12-5-3-2-4-6-12/h2-10H,11H2,1H3
    • InChI Key: CWWFKNYDPAANEP-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(=CC=1)C(CC(C1C=CC=CC=1)=O)=O

Computed Properties

  • Exact Mass: 254.09432
  • Monoisotopic Mass: 254.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 310
  • 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
  • Topological Polar Surface Area: 43.4A^2
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.151
  • Boiling Point: 430.6°C at 760 mmHg
  • Flash Point: 192.4°C
  • Refractive Index: 1.57
  • PSA: 43.37
  • LogP: 3.15090
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