Diethylstilbestrol
4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
Molecular Identity
Diethylstilbestrol
4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
PubChem CID: 448537
Diethylstilbestrol (DES) can cause cancer according to California Labor Code. It can cause developmental toxicity according to state or federal government labeling requirements.
2D Structure
Properties
C18H20O2
Molecular Formula
268.30
Molecular Weight
g/mol
268.1463
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
286
Complexity
SMILES
Canonical SMILES
SMILES: CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)OIsomeric SMILES
SMILES: CC/C(=C(/CC)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OSynonyms(20)
diethylstilbestrol56-53-1StilboestrolDistilbeneEstrobeneStilbetinStilboestroformAntigestilEstromeninVagestrolDietilestilbestrolComestrolDomestrolGrafestrolIscovesco
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Diethylstilbestrol
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