Cas no 106206-63-7 (1-[6-hydroxy-2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]ethanone)

1-[6-hydroxy-2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]ethanone structure
106206-63-7 structure
Product Name:1-[6-hydroxy-2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]ethanone
CAS No:106206-63-7
MF:C19H16O5
MW:324.327345848084
CID:1176420
PubChem ID:13598966
Update Time:2025-04-20

1-[6-hydroxy-2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]ethanone Chemical and Physical Properties

Names and Identifiers

    • 1-[6-hydroxy-2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]ethanone
    • 106206-63-7
    • DTXSID10544708
    • 1-[6-Hydroxy-2-(4-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]ethan-1-one
    • 1-(6-Hydroxy-2-(4-methoxybenzoyl)-3-methylbenzofuran-5-yl)ethanone
    • Inchi: 1S/C19H16O5/c1-10-14-8-15(11(2)20)16(21)9-17(14)24-19(10)18(22)12-4-6-13(23-3)7-5-12/h4-9,21H,1-3H3
    • InChI Key: FCAWZCPCUJNEKG-UHFFFAOYSA-N
    • SMILES: O1C(C(C2C=CC(=CC=2)OC)=O)=C(C)C2C=C(C(C)=O)C(=CC1=2)O

Computed Properties

  • Exact Mass: 324.09978
  • Monoisotopic Mass: 324.09977361g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 482
  • 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: 4.2
  • Topological Polar Surface Area: 76.7?2

Experimental Properties

  • PSA: 76.74
  • LogP: 3.88900
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