Cas no 111726-48-8 (2-iodo-6-methoxy-4-methylphenol)

2-iodo-6-methoxy-4-methylphenol structure
111726-48-8 structure
Product Name:2-iodo-6-methoxy-4-methylphenol
CAS No:111726-48-8
MF:C8H9IO2
MW:264.060334920883
CID:2607183
PubChem ID:11391406
Update Time:2025-04-21

2-iodo-6-methoxy-4-methylphenol Chemical and Physical Properties

Names and Identifiers

    • 2-iodo-6-methoxy-4-methylphenol
    • SCHEMBL12584694
    • 111726-48-8
    • DTXSID50464476
    • Phenol, 2-iodo-6-methoxy-4-methyl-
    • DTXCID40415295
    • Inchi: 1S/C8H9IO2/c1-5-3-6(9)8(10)7(4-5)11-2/h3-4,10H,1-2H3
    • InChI Key: KUQFWOYYOXOWFE-UHFFFAOYSA-N
    • SMILES: IC1C(=C(C=C(C)C=1)OC)O

Computed Properties

  • Exact Mass: 263.96473g/mol
  • Monoisotopic Mass: 263.96473g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 129
  • 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: 2.6
  • Topological Polar Surface Area: 29.5?2
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