Cas no 831226-71-2 (1,2-Ethanediol, 1-[4-(phenylmethoxy)phenyl]-, (1R)-)

1,2-Ethanediol, 1-[4-(phenylmethoxy)phenyl]-, (1R)- structure
831226-71-2 structure
Product Name:1,2-Ethanediol, 1-[4-(phenylmethoxy)phenyl]-, (1R)-
CAS No:831226-71-2
MF:C15H16O3
MW:244.285744667053
CID:677424
PubChem ID:71416199
Update Time:2025-04-19

1,2-Ethanediol, 1-[4-(phenylmethoxy)phenyl]-, (1R)- Chemical and Physical Properties

Names and Identifiers

    • 1,2-Ethanediol, 1-[4-(phenylmethoxy)phenyl]-, (1R)-
    • (1R)-1-(4-phenylmethoxyphenyl)ethane-1,2-diol
    • DTXSID90835601
    • (1R)-1-[4-(Benzyloxy)phenyl]ethane-1,2-diol
    • 831226-71-2
    • Inchi: 1S/C15H16O3/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15-17H,10-11H2/t15-/m0/s1
    • InChI Key: IPJRVDSMSHGBDL-HNNXBMFYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=CC(=CC=1)[C@H](CO)O

Computed Properties

  • Exact Mass: 244.109944368g/mol
  • Monoisotopic Mass: 244.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 49.7?2
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