Cas no 89263-90-1 (Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]-)

Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]- structure
89263-90-1 structure
Product Name:Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]-
CAS No:89263-90-1
MF:C16H13NO3
MW:267.279324293137
CID:606253
PubChem ID:136163132
Update Time:2025-04-19

Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 4-[3-(4-methoxyphenyl)-5-isoxazolyl]-
    • 4-[3-(4-methoxyphenyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,5-dien-1-one
    • 89263-90-1
    • 4-[3-(4-Methoxyphenyl)-1,2-oxazol-5(2H)-ylidene]cyclohexa-2,5-dien-1-one
    • DTXSID10720666
    • Inchi: 1S/C16H13NO3/c1-19-14-8-4-11(5-9-14)15-10-16(20-17-15)12-2-6-13(18)7-3-12/h2-10,18H,1H3
    • InChI Key: CGPDTTTWYZYLGP-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C2C=CC(=CC=2)OC)=N1)C1C=CC(=CC=1)O

Computed Properties

  • Exact Mass: 267.08954328g/mol
  • Monoisotopic Mass: 267.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 296
  • 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: 55.5?2
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