Cas no 400784-72-7 (4-[11-(4-hydroxyphenyl)henicosan-11-yl]phenol)

4-[11-(4-hydroxyphenyl)henicosan-11-yl]phenol structure
400784-72-7 structure
Product Name:4-[11-(4-hydroxyphenyl)henicosan-11-yl]phenol
CAS No:400784-72-7
MF:C33H52O2
MW:480.764790534973
CID:1511888
PubChem ID:71362337
Update Time:2025-04-21

4-[11-(4-hydroxyphenyl)henicosan-11-yl]phenol Chemical and Physical Properties

Names and Identifiers

    • 4-[11-(4-hydroxyphenyl)henicosan-11-yl]phenol
    • 400784-72-7
    • DTXSID50785971
    • 4,4'-(Henicosane-11,11-diyl)diphenol
    • Inchi: 1S/C33H52O2/c1-3-5-7-9-11-13-15-17-27-33(29-19-23-31(34)24-20-29,30-21-25-32(35)26-22-30)28-18-16-14-12-10-8-6-4-2/h19-26,34-35H,3-18,27-28H2,1-2H3
    • InChI Key: QCTWQHWKBZELKU-UHFFFAOYSA-N
    • SMILES: OC1C=CC(=CC=1)C(C1C=CC(=CC=1)O)(CCCCCCCCCC)CCCCCCCCCC

Computed Properties

  • Exact Mass: 480.396730897g/mol
  • Monoisotopic Mass: 480.396730897g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 20
  • Complexity: 430
  • 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: 13.8
  • Topological Polar Surface Area: 40.5?2
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