Cas no 51095-49-9 (1,2-dimethoxy-4-[2-(3-methoxyphenyl)ethyl]benzene)

1,2-dimethoxy-4-[2-(3-methoxyphenyl)ethyl]benzene structure
51095-49-9 structure
Product Name:1,2-dimethoxy-4-[2-(3-methoxyphenyl)ethyl]benzene
CAS No:51095-49-9
MF:C17H20O3
MW:272.338905334473
CID:1570562
PubChem ID:636528
Update Time:2025-04-21

1,2-dimethoxy-4-[2-(3-methoxyphenyl)ethyl]benzene Chemical and Physical Properties

Names and Identifiers

    • 1,2-dimethoxy-4-[2-(3-methoxyphenyl)ethyl]benzene
    • 1,2-Dimethoxy-4-[2-(3-methoxy-phenyl)-ethyl]-benzene
    • 3,3',4-Trimethoxybibenzyl
    • benzene, 1,2-dimethoxy-4-[2-(3-methoxyphenyl)ethyl]-
    • CHEBI:195310
    • 3,3'-4-trimethoxybibenzyl
    • InChI=1/C17H20O3/c1-18-15-6-4-5-13(11-15)7-8-14-9-10-16(19-2)17(12-14)20-3/h4-6,9-12H,7-8H2,1-3H
    • DTXSID20348375
    • 51095-49-9
    • Inchi: 1S/C17H20O3/c1-18-15-6-4-5-13(11-15)7-8-14-9-10-16(19-2)17(12-14)20-3/h4-6,9-12H,7-8H2,1-3H3
    • InChI Key: HBUJATCJXGLELF-UHFFFAOYSA-N
    • SMILES: O(C)C1=C(C=CC(=C1)CCC1C=CC=C(C=1)OC)OC

Computed Properties

  • Exact Mass: 272.1413
  • Monoisotopic Mass: 272.141
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 6
  • Complexity: 269
  • 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: 3.6
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • Density: 1.068
  • Boiling Point: 369.3°C at 760 mmHg
  • Flash Point: 124.8°C
  • Refractive Index: 1.542
  • PSA: 27.69
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