Cas no 1267275-87-5 ((3-(4-Ethylphenyl)-5-methylisoxazol-4-yl)methanol)

(3-(4-Ethylphenyl)-5-methylisoxazol-4-yl)methanol structure
1267275-87-5 structure
Product Name:(3-(4-Ethylphenyl)-5-methylisoxazol-4-yl)methanol
CAS No:1267275-87-5
MF:C13H15NO2
MW:217.263703584671
CID:1084776
PubChem ID:73553854
Update Time:2025-04-20

(3-(4-Ethylphenyl)-5-methylisoxazol-4-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • (3-(4-Ethylphenyl)-5-methylisoxazol-4-yl)methanol
    • [3-(4-ethylphenyl)-5-methyl-isoxazol-4-yl]methanol
    • 1267275-87-5
    • [3-(4-ETHYLPHENYL)-5-METHYL-1,2-OXAZOL-4-YL]METHANOL
    • Inchi: 1S/C13H15NO2/c1-3-10-4-6-11(7-5-10)13-12(8-15)9(2)16-14-13/h4-7,15H,3,8H2,1-2H3
    • InChI Key: LCXNPSAJWDXJGD-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(CO)C(C2C=CC(=CC=2)CC)=N1

Computed Properties

  • Exact Mass: 217.110278721g/mol
  • Monoisotopic Mass: 217.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 214
  • 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: 2.3
  • Topological Polar Surface Area: 46.3?2
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