Cas no 32884-25-6 ([2-(benzyloxy)-4-methoxyphenyl]acetonitrile)

[2-(benzyloxy)-4-methoxyphenyl]acetonitrile structure
32884-25-6 structure
Product Name:[2-(benzyloxy)-4-methoxyphenyl]acetonitrile
CAS No:32884-25-6
MF:C16H15NO2
MW:253.295804262161
CID:917358
PubChem ID:319408
Update Time:2025-04-19

[2-(benzyloxy)-4-methoxyphenyl]acetonitrile Chemical and Physical Properties

Names and Identifiers

    • [2-(benzyloxy)-4-methoxyphenyl]acetonitrile
    • 2-(4-methoxy-2-phenylmethoxyphenyl)acetonitrile
    • (2-(Benzyloxy)-4-methoxyphenyl)acetonitrile
    • (2-benzyloxy-4-methoxyphenyl)acetonitrile
    • AC1L805X
    • NCI60_002107
    • NSC263601
    • SureCN6035647
    • Acetonitrile, [2-(benzyloxy)-4-methoxyphenyl]-
    • QME7346U59
    • 32884-25-6
    • 2-Benzyloxy-4-methoxyphenylacetonitrile
    • 4-Methoxy-2-(phenylmethoxy)benzeneacetonitrile
    • DTXSID20186537
    • GHQVMARKZDBYKZ-UHFFFAOYSA-N
    • SCHEMBL6035647
    • CHEMBL1976329
    • 2-(2-benzyloxy-4-methoxy-phenyl)acetonitrile
    • Benzeneacetonitrile, 4-methoxy-2-(phenylmethoxy)-
    • NSC-263601
    • NSC 263601
    • Inchi: 1S/C16H15NO2/c1-18-15-8-7-14(9-10-17)16(11-15)19-12-13-5-3-2-4-6-13/h2-8,11H,9,12H2,1H3
    • InChI Key: GHQVMARKZDBYKZ-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=C(C=CC=1CC#N)OC

Computed Properties

  • Exact Mass: 253.11035
  • Monoisotopic Mass: 253.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 303
  • 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
  • Topological Polar Surface Area: 42.2?2

Experimental Properties

  • PSA: 42.25
  • LogP: 3.34028
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