Cas no 177259-61-9 (2-[4-(4-Phenylbutoxy)phenyl]ethan-1-ol)

2-[4-(4-Phenylbutoxy)phenyl]ethan-1-ol structure
177259-61-9 structure
Product Name:2-[4-(4-Phenylbutoxy)phenyl]ethan-1-ol
CAS No:177259-61-9
MF:C18H22O2
MW:270.366085529327
CID:2782774
PubChem ID:22618856
Update Time:2025-04-21

2-[4-(4-Phenylbutoxy)phenyl]ethan-1-ol Chemical and Physical Properties

Names and Identifiers

    • 2-[4-(4-Phenylbutoxy)phenyl]ethan-1-ol
    • SCHEMBL4165319
    • 177259-61-9
    • DTXSID90626990
    • Inchi: 1S/C18H22O2/c19-14-13-17-9-11-18(12-10-17)20-15-5-4-8-16-6-2-1-3-7-16/h1-3,6-7,9-12,19H,4-5,8,13-15H2
    • InChI Key: QDIFKQDUBUBTQC-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)CCO)CCCCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 270.161979940Da
  • Monoisotopic Mass: 270.161979940Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 8
  • Complexity: 228
  • 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: 4.1
  • Topological Polar Surface Area: 29.5?2
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