4-[(3R,4S)-4-(4-Hydroxy-3-Iodophenyl)-3-Hexanyl]-2-Iodophenol

Molecule SVG Image

Properties Simple | Detailed

Formula C18H20I2O2
IUPAC Name 4-[(1s,2r)-1-ethyl-2-(4-hydroxy-3-iodo-phenyl)butyl]-2-iodo-phenol
Molecular Mass 522.159 g·mol−1
Heat of Formation -159.1 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 437.46 Å 3
Surface Area 364.99 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • 1-iodohexestrol
  • 4-[(1s,2r)-1-ethyl-2-(4-hydroxy-3-iodo-phenyl)butyl]-2-iodo-phenol
  • 4-[(1s,2r)-1-ethyl-2-(4-hydroxy-3-iodophenyl)butyl]-2-iodophenol
  • 4-[(3s,4r)-4-(4-hydroxy-3-iodo-phenyl)hexan-3-yl]-2-iodo-phenol
  • phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis(2-iodo-, (r*,s*)-
CAS Number(s)
  • 55508-15-1
InChIKey JHLLTEJRPPJGGQ-OKILXGFUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O