Cas no 189438-16-2 ({5-[(Benzyloxy)methyl]-1,3-phenylene}dimethanol)

{5-[(Benzyloxy)methyl]-1,3-phenylene}dimethanol structure
189438-16-2 structure
Product Name:{5-[(Benzyloxy)methyl]-1,3-phenylene}dimethanol
CAS No:189438-16-2
MF:C16H18O3
MW:258.312325000763
CID:2786627
PubChem ID:71348002
Update Time:2025-04-21

{5-[(Benzyloxy)methyl]-1,3-phenylene}dimethanol Chemical and Physical Properties

Names and Identifiers

    • DTXSID30773917
    • {5-[(Benzyloxy)methyl]-1,3-phenylene}dimethanol
    • 189438-16-2
    • Inchi: 1S/C16H18O3/c17-9-14-6-15(10-18)8-16(7-14)12-19-11-13-4-2-1-3-5-13/h1-8,17-18H,9-12H2
    • InChI Key: LOFCJRDRFJXXGW-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)CC1C=C(CO)C=C(CO)C=1

Computed Properties

  • Exact Mass: 258.125594432Da
  • Monoisotopic Mass: 258.125594432Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 226
  • 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: 1.5
  • Topological Polar Surface Area: 49.7?2
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