Cas no 53874-01-4 (Ethanone, 1-[2-hydroxy-6-(3-phenoxypropoxy)phenyl]-)

Ethanone, 1-[2-hydroxy-6-(3-phenoxypropoxy)phenyl]- structure
53874-01-4 structure
Product Name:Ethanone, 1-[2-hydroxy-6-(3-phenoxypropoxy)phenyl]-
CAS No:53874-01-4
MF:C17H18O4
MW:286.322425365448
CID:356158
PubChem ID:12355806
Update Time:2025-04-19

Ethanone, 1-[2-hydroxy-6-(3-phenoxypropoxy)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-[2-hydroxy-6-(3-phenoxypropoxy)phenyl]-
    • 1-[2-hydroxy-6-(3-phenoxypropoxy)phenyl]ethanone
    • 1-[2-Hydroxy-6-(3-phenoxypropoxy)phenyl]ethan-1-one
    • DTXSID10493727
    • 53874-01-4
    • A1-05670
    • Inchi: 1S/C17H18O4/c1-13(18)17-15(19)9-5-10-16(17)21-12-6-11-20-14-7-3-2-4-8-14/h2-5,7-10,19H,6,11-12H2,1H3
    • InChI Key: ZBAVDRIZVBMFCH-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=C(C=1C(C)=O)O)CCCOC1C=CC=CC=1

Computed Properties

  • Exact Mass: 286.12054
  • Monoisotopic Mass: 286.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 312
  • 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: 3.8
  • Topological Polar Surface Area: 55.8?2

Experimental Properties

  • PSA: 55.76
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