Chalcone epoxide

C₁₅H₁₂O₂CAS 5411-12-1224.26 g/mol

Open in Covalent MOL file

Epoxide Ether Ketone

Properties

Molecular formula: C₁₅H₁₂O₂
Molar mass: 224.26 g/mol
Exact mass: 224.0837 Da
Melting point: 86.5–87.5 °C
logP: 3.01Crippen estimate
Polar surface area: 29.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation11.4% of notifiers
H317 May cause an allergic skin reaction88.6% of notifiers
H319 Causes serious eye irritation11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

5411-12-1

SMILES

O=C(c1ccccc1)C1OC1c1ccccc1

InChIKey

UQGMJZQVDNZRKT-UHFFFAOYSA-N

InChI

InChI=1S/C15H12O2/c16-13(11-7-3-1-4-8-11)15-14(17-15)12-9-5-2-6-10-12/h1-10,14-15H

Weigh it out

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

Names and synonyms

13 names · show all

Methanone, phenyl(3-phenyl-2-oxiranyl)-
Propiophenone, 2,3-epoxy-3-phenyl-
Methanone, phenyl(3-phenyloxiranyl)-
Phenyl(3-phenyl-2-oxiranyl)methanone
2,3-Epoxy-3-phenylpropiophenone
1,3-Diphenyl-2,3-epoxy-1-propanone
2,3-Epoxy-1,3-diphenyl-1-propanone
Epoxybenzalacetophenone
Chalcone oxide
1-Benzoyl-2-phenyloxirane
NSC 10919
Phenyl(3-phenyloxiran-2-yl)methanone
2-Benzoyl-3-phenyloxirane

Work with Chalcone epoxide

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

Desyl chloride447-31-453 % similar Benzoin isopropyl ether6652-28-453 % similar 2,2-Dichloroacetophenone2648-61-552 % similar Benzoin (organic compound)119-53-952 % similar 2-Bromo-1,2-diphenylethanone1484-50-052 % similar (±)-Benzoin579-44-252 % similar Methyl benzoin3524-62-751 % similar Benzoin acetate574-06-151 % similar

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

Same formula

Dibenzoylmethane120-46-7 2′-Hydroxychalcone1214-47-7 3-[1,1′-Biphenyl]-4-yl-2-propenoic acid13026-23-8 4-Hydroxychalcone20426-12-4 4′-Hydroxychalcone2657-25-2 Phenyl cinnamate2757-04-2 2-Hydroxychalcone42224-53-3 (±)-Flavanone487-26-3

Elsewhere

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