Cas no 78916-50-4 (Benzene, 1,3-dimethoxy-5-(2-phenylethyl)-)

Benzene, 1,3-dimethoxy-5-(2-phenylethyl)- structure
78916-50-4 structure
Product Name:Benzene, 1,3-dimethoxy-5-(2-phenylethyl)-
CAS No:78916-50-4
MF:C16H18O2
MW:242.312924861908
CID:533689
PubChem ID:10538117
Update Time:2025-04-19

Benzene, 1,3-dimethoxy-5-(2-phenylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1,3-dimethoxy-5-(2-phenylethyl)-
    • 1,3-dimethoxy-5-(2-phenylethyl)benzene
    • BDBM246490
    • SCHEMBL1972535
    • DTXSID70441466
    • 3,5-dimethoxybibenzyl
    • CHEBI:195309
    • 3,5-Dimethoxybibenzyl (8)
    • 78916-50-4
    • Dihydropinosylvin dimethyl ether
    • Inchi: 1S/C16H18O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-7,10-12H,8-9H2,1-2H3
    • InChI Key: PBHUJCQHJCTMDJ-UHFFFAOYSA-N
    • SMILES: O(C)C1C=C(C=C(C=1)CCC1C=CC=CC=1)OC

Computed Properties

  • Exact Mass: 242.130679813g/mol
  • Monoisotopic Mass: 242.130679813g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 211
  • 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: 4.1
  • Topological Polar Surface Area: 18.5?2
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