chempirical

Dienestrol diacetate

C22H22O4CAS 84-19-5350.41 g/mol

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AlkeneEster

Properties

Molecular formula
C22H22O4
Molar mass
350.41 g/mol
Exact mass
350.1518 Da
Melting point
119–120 °C
logP
5.04Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
84-19-5
SMILES
CC=C(C(=CC)c1ccc(OC(C)=O)cc1)c1ccc(OC(C)=O)cc1
InChIKey
YWLLGDVBTLPARJ-UHFFFAOYSA-N
InChI
InChI=1S/C22H22O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h5-14H,1-4H3

Weigh it out

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

Names and synonyms

8 names
  • Phenol, 4,4′-(1,2-diethylidene-1,2-ethanediyl)bis-, 1,1′-diacetate
  • Phenol, 4,4′-(diethylideneethylene)di-, diacetate
  • Phenol, 4,4′-(1,2-diethylidene-1,2-ethanediyl)bis-, diacetate
  • 3,4-Bis(p-acetoxyphenyl)-2,4-hexadiene
  • Farmacyrol
  • Retalon-oral
  • Lipamone
  • NSC 81279

Work with Dienestrol diacetate

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

1-[4-(Acetyloxy)phenyl]ethanone13031-43-161 % similar P-Acetoxybenzoic acid2345-34-857 % similar Methyl 4-acetoxybenzoate24262-66-656 % similar 4-Methylphenyl acetate140-39-655 % similar 4-(Acetyloxy)benzaldehyde878-00-254 % similar Phenyl acetate122-79-253 % similar p-Aminophenyl acetate13871-68-653 % similar 4-Fluorophenyl acetate405-51-653 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook