Cas no 701954-74-7 (Phenol, 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]-)

Phenol, 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]- structure
701954-74-7 structure
Product Name:Phenol, 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]-
CAS No:701954-74-7
MF:C19H19NO6
MW:357.357265710831
CID:547581
PubChem ID:11337247
Update Time:2025-04-19

Phenol, 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3-isoxazolyl]-
    • 2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenol
    • CHEMBL179156
    • DTXSID90462835
    • 2-methoxy-5-(5-(3,4,5-trimethoxyphenyl)isoxazol-3-yl)phenol
    • 701954-74-7
    • SCHEMBL5686432
    • QPMVNZHDVVLZST-UHFFFAOYSA-N
    • Inchi: 1S/C19H19NO6/c1-22-15-6-5-11(7-14(15)21)13-10-16(26-20-13)12-8-17(23-2)19(25-4)18(9-12)24-3/h5-10,21H,1-4H3
    • InChI Key: QPMVNZHDVVLZST-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C2C=CC(=C(C=2)O)OC)=N1)C1C=C(C(=C(C=1)OC)OC)OC

Computed Properties

  • Exact Mass: 357.12127
  • Monoisotopic Mass: 357.12123733g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 6
  • Complexity: 424
  • 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: 3.2
  • Topological Polar Surface Area: 83.2?2

Experimental Properties

  • PSA: 83.18
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