Cas no 31558-56-2 ( )

  structure
  structure
Product Name: 
CAS No:31558-56-2
MF:C15H16O3
MW:244.285744667053
CID:916559
PubChem ID:298743
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 1-methoxy-4-[(4-methoxyphenoxy)methyl]benzene
    • NSC171058
    • NSC-171058
    • 31558-56-2
    • DTXSID20305544
    • SCHEMBL20000873
    •  
    • Inchi： 1S/C15H16O3/c1-16-13-5-3-12(4-6-13)11-18-15-9-7-14(17-2)8-10-15/h3-10H,11H2,1-2H3
    • InChI Key： JWUPAZZFJODIIU-UHFFFAOYSA-N
    • SMILES： O(C1C=CC(=CC=1)OC)CC1C=CC(=CC=1)OC

Computed Properties

  • Exact Mass: 244.10998
  • Monoisotopic Mass: 244.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 216
  • 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: 3.3
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • PSA: 27.69

  Related Literature

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