Cas no 54885-04-0 (Methanone, phenyl-8-quinolinyl-)

Methanone, phenyl-8-quinolinyl- structure
54885-04-0 structure
Product Name:Methanone, phenyl-8-quinolinyl-
CAS No:54885-04-0
MF:C16H11NO
MW:233.264643907547
CID:2670641
PubChem ID:12195328
Update Time:2025-04-21

Methanone, phenyl-8-quinolinyl- Chemical and Physical Properties

Names and Identifiers

    • Phenyl(8-quinolyl) ketone
    • phenyl(quinolin-8-yl)methanone
    • Methanone, phenyl-8-quinolinyl-
    • DTXSID50479964
    • DTXCID70430774
    • SCHEMBL11807194
    • 54885-04-0
    • 8-quinolinyl phenyl ketone
    • AKOS017326057
    • Inchi: 1S/C16H11NO/c18-16(13-6-2-1-3-7-13)14-10-4-8-12-9-5-11-17-15(12)14/h1-11H
    • InChI Key: XGLCXRBETLAFRE-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC=CC=1)C1=CC=CC2=CC=CN=C12

Computed Properties

  • Exact Mass: 233.084063974Da
  • Monoisotopic Mass: 233.084063974Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 295
  • 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: 3.2
  • Topological Polar Surface Area: 30?2
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