chempirical

Diethylstilbestrol

C18H20O2CAS 56-53-1268.36 g/mol

Open in Covalent MOL file
OHHO
AlkenePhenol

Properties

Molecular formula
C18H20O2
Molar mass
268.36 g/mol
Exact mass
268.1463 Da
Melting point
169–172 °C
logP
4.83Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
56-53-1
SMILES
CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1
InChIKey
RGLYKWWBQGJZGM-ISLYRVAYSA-N
InChI
InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+

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Type any one amount. The others follow from the molar mass.

Names and synonyms

71 names · show all
  • Phenol, 4,4′-[(1E)-1,2-diethyl-1,2-ethenediyl]bis-
  • 4,4′-Stilbenediol, α,α′-diethyl-, (E)-
  • Phenol, 4,4′-(1,2-diethyl-1,2-ethenediyl)bis-, (E)-
  • 4,4′-Stilbenediol, α,α′-diethyl-, trans-
  • 4,4′-[(1E)-1,2-Diethyl-1,2-ethenediyl]bis[phenol]
  • Bio-des
  • Comestrol
  • Cyren A
  • DEB
  • DES
  • Di-estryl
  • trans-α,α′-Diethyl-4,4′-stilbenediol
  • Domestrol
  • Estilbin MCO
  • Estrobene
  • Estrosyn
  • Fonatol
  • Grafestrol
  • Hi-bestrol
  • Microest
  • Milestrol
  • Oestrogenine
  • Oestromenin
  • Oestromensyl
  • Palestrol
  • Serral
  • Sexocretin
  • Sibol
  • Stil
  • Stilbestrol
  • Stilbetin
  • Stilboestroform
  • Stilboestrol
  • Stilkap
  • Stil-rol
  • Synthoestrin
  • Syntofolin
  • trans-Diethylstilbestrol
  • Stilboefral
  • α,α′-Diethyl-4,4′-stilbenediol
  • Dawe's destrol solution
  • 4,4′-Dihydroxy-α,β-diethylstilbene
  • Bufon
  • Antigestil
  • neo-Oestranol I
  • Distilbene
  • Iscovesco
  • Synestrin
  • (E)-4,4′-(1,2-Diethyl-1,2-ethenediyl)bisphenol
  • α,α′-Diethylstilbenediol
  • Dawe's destrol
  • DiBestrol 2 Premix
  • Rumestrol 2
  • Rumestrol 1
  • 4,4′-Dihydroxydiethylstilbene
  • Cyren
  • Synthofolin
  • Pabestrol
  • Estromenin
  • Menostilbeen
  • Agostilben
  • DES (synthetic estrogen)
  • trans-4,4′-Dihydroxy-α,β-diethylstilbene
  • (E)-3,4-Bis(4-hydroxyphenyl)-3-hexene
  • (E)-Diethylstilbestrol
  • Vagestrol
  • Oestromon
  • NSC 3070
  • Bertrol
  • trans-α,α′-Diethyl-4,4′-dihydroxystilbene
  • Estrogenine

Work with Diethylstilbestrol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4′-Hydroxypropiophenone70-70-261 % similar Tetrakis(4-hydroxyphenyl)ethylene119301-59-650 % similar 4′-Hydroxybutyrophenone1009-11-647 % similar Endoxifen112093-28-445 % similar Ethylparaben120-47-845 % similar N-(4-Hydroxyphenyl)propanamide1693-37-445 % similar 4-Hydroxytamoxifen68047-06-345 % similar 4-[1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-buten-1-yl]phenol68392-35-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl 4'-methylbiphenyl-2-carboxylate114772-36-0 Benzoin isobutyl ether22499-12-3 Trendione4642-95-9 Equilin474-86-2 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-4 Bisphenol Z843-55-0

Elsewhere

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