Cas no 628291-34-9 (Ethanone, 1-[3,5-dimethyl-2-(phenylmethoxy)phenyl]-)

Ethanone, 1-[3,5-dimethyl-2-(phenylmethoxy)phenyl]- structure
628291-34-9 structure
Product Name:Ethanone, 1-[3,5-dimethyl-2-(phenylmethoxy)phenyl]-
CAS No:628291-34-9
MF:C17H18O2
MW:254.323625087738
CID:430288
PubChem ID:70039438
Update Time:2025-04-19

Ethanone, 1-[3,5-dimethyl-2-(phenylmethoxy)phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-[3,5-dimethyl-2-(phenylmethoxy)phenyl]-
    • 1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
    • SCHEMBL7262183
    • DTXSID80741641
    • 1-[2-(Benzyloxy)-3,5-dimethylphenyl]ethan-1-one
    • 628291-34-9
    • Inchi: 1S/C17H18O2/c1-12-9-13(2)17(16(10-12)14(3)18)19-11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
    • InChI Key: STPHHRQDJITCTC-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C(C(C)=O)=CC(C)=CC=1C

Computed Properties

  • Exact Mass: 254.13074
  • Monoisotopic Mass: 254.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 294
  • 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: 26.3?2

Experimental Properties

  • PSA: 26.3
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