Cas no 1027100-41-9 (1-Methoxy-2-((3-methoxyphenyl)ethynyl)benzene)

1-Methoxy-2-((3-methoxyphenyl)ethynyl)benzene structure
1027100-41-9 structure
Product Name:1-Methoxy-2-((3-methoxyphenyl)ethynyl)benzene
CAS No:1027100-41-9
MF:C16H14O2
MW:238.281164646149
CID:1085004
PubChem ID:73553887
Update Time:2025-04-20

1-Methoxy-2-((3-methoxyphenyl)ethynyl)benzene Chemical and Physical Properties

Names and Identifiers

    • 1-Methoxy-2-((3-methoxyphenyl)ethynyl)benzene
    • 1-methoxy-2-[2-(3-methoxyphenyl)ethynyl]benzene
    • 1027100-41-9
    • Inchi: 1S/C16H14O2/c1-17-15-8-5-6-13(12-15)10-11-14-7-3-4-9-16(14)18-2/h3-9,12H,1-2H3
    • InChI Key: PRRZIKADPZEYEO-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC=CC=1C#CC1=CC=CC(=C1)OC

Computed Properties

  • Exact Mass: 238.09938g/mol
  • Monoisotopic Mass: 238.09938g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • 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
  • Molecular Weight: 238.28g/mol
  • XLogP3: 3.9
  • Topological Polar Surface Area: 18.5?2
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