Cas no 644964-46-5 (Ethanone, 1-[4'-(2-methylpropyl)[1,1'-biphenyl]-4-yl]-)

Ethanone, 1-[4'-(2-methylpropyl)[1,1'-biphenyl]-4-yl]- structure
644964-46-5 structure
Product Name:Ethanone, 1-[4'-(2-methylpropyl)[1,1'-biphenyl]-4-yl]-
CAS No:644964-46-5
MF:C18H20O
MW:252.350805282593
CID:423770
PubChem ID:11470767
Update Time:2025-04-19

Ethanone, 1-[4'-(2-methylpropyl)[1,1'-biphenyl]-4-yl]- Chemical and Physical Properties

Names and Identifiers

    • Ethanone, 1-[4'-(2-methylpropyl)[1,1'-biphenyl]-4-yl]-
    • 1-[4-[4-(2-methylpropyl)phenyl]phenyl]ethanone
    • SCHEMBL16800154
    • DTXSID40466969
    • 644964-46-5
    • AKOS012732303
    • Inchi: 1S/C18H20O/c1-13(2)12-15-4-6-17(7-5-15)18-10-8-16(9-11-18)14(3)19/h4-11,13H,12H2,1-3H3
    • InChI Key: GACRSDVRSUXVNT-UHFFFAOYSA-N
    • SMILES: O=C(C)C1C=CC(=CC=1)C1C=CC(=CC=1)CC(C)C

Computed Properties

  • Exact Mass: 252.1515
  • Monoisotopic Mass: 252.151415257g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 278
  • 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: 4.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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