Cas no 55508-15-1 (Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel-)

Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel- structure
55508-15-1 structure
Product Name:Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel-
CAS No:55508-15-1
MF:C18H20I2O2
MW:522.159150123596
CID:375961
PubChem ID:171452
Update Time:2025-04-19

Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel- Chemical and Physical Properties

Names and Identifiers

    • Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis[2-iodo-, rel-
    • 1-iodohexestrol
    • Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis(2-iodo-, (R*,S*)-
    • 55508-15-1
    • Inchi: 1S/C18H20I2O2/c1-3-13(11-5-7-17(21)15(19)9-11)14(4-2)12-6-8-18(22)16(20)10-12/h5-10,13-14,21-22H,3-4H2,1-2H3/t13-,14+
    • InChI Key: JHLLTEJRPPJGGQ-OKILXGFUSA-N
    • SMILES: IC1=C(C=CC(=C1)[C@@H](CC)[C@H](C1C=CC(=C(C=1)I)O)CC)O

Computed Properties

  • Exact Mass: 521.9544
  • Monoisotopic Mass: 521.95528g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 5
  • Complexity: 307
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.5
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46
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