Cas no 55877-40-2 (Methanone, (4-hydroxyphenyl)[2-(phenylmethyl)-3-benzofuranyl]-)

Methanone, (4-hydroxyphenyl)[2-(phenylmethyl)-3-benzofuranyl]- structure
55877-40-2 structure
Product Name:Methanone, (4-hydroxyphenyl)[2-(phenylmethyl)-3-benzofuranyl]-
CAS No:55877-40-2
MF:C22H16O3
MW:328.360646247864
CID:350382
PubChem ID:12135276
Update Time:2025-04-19

Methanone, (4-hydroxyphenyl)[2-(phenylmethyl)-3-benzofuranyl]- Chemical and Physical Properties

Names and Identifiers

    • Methanone, (4-hydroxyphenyl)[2-(phenylmethyl)-3-benzofuranyl]-
    • (2-benzyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
    • SCHEMBL6345467
    • 55877-40-2
    • DTXSID00478260
    • Inchi: 1S/C22H16O3/c23-17-12-10-16(11-13-17)22(24)21-18-8-4-5-9-19(18)25-20(21)14-15-6-2-1-3-7-15/h1-13,23H,14H2
    • InChI Key: AQNNLGWKMDCSLD-UHFFFAOYSA-N
    • SMILES: O1C2C=CC=CC=2C(C(C2C=CC(=CC=2)O)=O)=C1CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 328.10998
  • Monoisotopic Mass: 328.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 4
  • Complexity: 448
  • 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: 5.4
  • Topological Polar Surface Area: 50.4?2

Experimental Properties

  • PSA: 50.44
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