Cas no 60427-92-1 (4-methoxy-6-[(1e,3e)-4-phenylbuta-1,3-dienyl]pyran-2-one)

4-methoxy-6-[(1e,3e)-4-phenylbuta-1,3-dienyl]pyran-2-one structure
60427-92-1 structure
Product Name:4-methoxy-6-[(1e,3e)-4-phenylbuta-1,3-dienyl]pyran-2-one
CAS No:60427-92-1
MF:C16H14O3
MW:254.280564785004
CID:952065
PubChem ID:5849520
Update Time:2025-04-19

4-methoxy-6-[(1e,3e)-4-phenylbuta-1,3-dienyl]pyran-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-methoxy-6-[(1e,3e)-4-phenylbuta-1,3-dienyl]pyran-2-one
    • 4-methoxy-6-(4-phenyl-1,3-butadienyl)-2H-pyran-2-one
    • 4-methoxy-6-(4-phenyl-buta-1,3-dienyl)-pyran-2-one
    • AC1NZ4PD
    • CHEMBL1946693
    • NSC280833
    • DTXSID80421138
    • 60427-92-1
    • Homopyrone A
    • 4-methoxy-6-((1e,3e)-4-phenylbuta-1,3-dien-1-yl)-2h-pyran-2-one
    • CHEBI:223102
    • NSC-280833
    • Inchi: 1S/C16H14O3/c1-18-15-11-14(19-16(17)12-15)10-6-5-9-13-7-3-2-4-8-13/h2-12H,1H3/b9-5+,10-6+
    • InChI Key: ORQOZZSYYGWBRL-NXZHAISVSA-N
    • SMILES: O1C(C=C(C=C1/C=C/C=C/C1C=CC=CC=1)OC)=O

Computed Properties

  • Exact Mass: 254.09432
  • Monoisotopic Mass: 254.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 435
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.4
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
  • LogP: 3.37500
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