Cas no 53887-78-8 (Phenol, 2,4-dimethoxy-6-methyl-)

Phenol, 2,4-dimethoxy-6-methyl- structure
53887-78-8 structure
Product Name:Phenol, 2,4-dimethoxy-6-methyl-
CAS No:53887-78-8
MF:C9H12O3
MW:168.189783096313
CID:356135
PubChem ID:12786492
Update Time:2025-04-19

Phenol, 2,4-dimethoxy-6-methyl- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2,4-dimethoxy-6-methyl-
    • 2,4-dimethoxy-6-methylphenol
    • 53887-78-8
    • DTXSID00509821
    • SCHEMBL11581623
    • Inchi： 1S/C9H12O3/c1-6-4-7(11-2)5-8(12-3)9(6)10/h4-5,10H,1-3H3
    • InChI Key： KJRBBVPGJVQGSG-UHFFFAOYSA-N
    • SMILES： O(C)C1=CC(=CC(C)=C1O)OC

Computed Properties

  • Exact Mass: 168.07866
  • Monoisotopic Mass: 168.078644241g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 138
  • 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: 1.9
  • Topological Polar Surface Area: 38.7?2

Experimental Properties

  • PSA: 38.69

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