Cas no 524957-52-6 (1,3-Propanediol, 2-[2-(phenylmethoxy)ethoxy]-)

1,3-Propanediol, 2-[2-(phenylmethoxy)ethoxy]- structure
524957-52-6 structure
Product Name:1,3-Propanediol, 2-[2-(phenylmethoxy)ethoxy]-
CAS No:524957-52-6
MF:C12H18O4
MW:226.268924236298
CID:336149
PubChem ID:21024265
Update Time:2025-04-19

1,3-Propanediol, 2-[2-(phenylmethoxy)ethoxy]- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol, 2-[2-(phenylmethoxy)ethoxy]-
    • 2-(2-phenylmethoxyethoxy)propane-1,3-diol
    • DTXSID90610233
    • 524957-52-6
    • SCHEMBL996386
    • 2-[2-(BENZYLOXY)ETHOXY]PROPANE-1,3-DIOL
    • Inchi: 1S/C12H18O4/c13-8-12(9-14)16-7-6-15-10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2
    • InChI Key: RPPHWNHCJAWLOL-UHFFFAOYSA-N
    • SMILES: O(CCOCC1C=CC=CC=1)C(CO)CO

Computed Properties

  • Exact Mass: 226.12050905g/mol
  • Monoisotopic Mass: 226.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 8
  • Complexity: 153
  • 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: 0.1
  • Topological Polar Surface Area: 58.9?2
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