chempirical

trans-Stilbene oxide

C14H12OCAS 1439-07-2196.25 g/mol

Open in Covalent MOL file
O
EpoxideEther

Properties

Molecular formula
C14H12O
Molar mass
196.25 g/mol
Exact mass
196.0888 Da
Melting point
69–70 °C
Boiling point
118–120 °C (at 0.5 Torr)
logP
3.50Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1439-07-2
SMILES
c1ccc([C@@H]2O[C@H]2c2ccccc2)cc1
InChIKey
ARCJQKUWGAZPFX-ZCWZLOQUNA-N
InChI
InChI=1/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/s2

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Names and synonyms

17 names · show all
  • Oxirane, 2,3-diphenyl-, (2R,3R)-rel-
  • Bibenzyl, α,α′-epoxy-, trans-
  • Oxirane, 2,3-diphenyl-, trans-
  • Rel-(2R,3R)-2,3-Diphenyloxirane
  • trans-Stilbene epoxide
  • trans-2,3-Diphenyloxirane
  • trans-Diphenyl-1,2-epoxyethane
  • (E)-Stilbene oxide
  • trans-α,α′-Epoxybibenzyl
  • trans-1,2-Diphenylethylene oxide
  • (±)-trans-Stilbene oxide
  • trans-(±)-2,3-Diphenyloxirane
  • (±)-trans-2,3-Diphenyloxirane
  • NSC 100317
  • NSC 40295
  • (2R,3R)-Rel-2,3-Diphenyloxirane
  • (E)-Stilbene epoxide

Reactions

Work with trans-Stilbene oxide

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

Triphenylmethane519-73-350 % similar Chalcone epoxide5411-12-146 % similar Benzaldehyde dimethyl acetal1125-88-843 % similar (+)-Styrene oxide20780-53-443 % similar (S)-Styrene oxide20780-54-543 % similar Styrene oxide96-09-343 % similar meso-Stilbene dibromide13440-24-943 % similar Rel-(1R,2R)-1,2-Diphenyl-1,2-ethanediamine16635-95-343 % similar

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

Same formula

2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde108934-21-0 3-(4-Methylphenyl)benzaldehyde116470-54-3 2-Methylbenzophenone131-58-8 4-Methylbenzophenone134-84-9 3-(3-Methylphenyl)benzaldehyde216443-78-6 Fluorene-9-methanol24324-17-2 4'-Methylbiphenyl-4-carbaldehyde36393-42-7 4-(3-Methylphenyl)benzaldehyde400744-83-4

Elsewhere

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