2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)oxirane

C₁₄H₁₉ClOCAS 80443-63-6238.75 g/mol

Open in Covalent MOL file

Aryl halide Epoxide Ether

Properties

Molecular formula: C₁₄H₁₉ClO
Molar mass: 238.75 g/mol
Exact mass: 238.1124 Da
logP: 4.09Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

80443-63-6

SMILES

CC(C)(C)C1(CCc2ccc(Cl)cc2)CO1

InChIKey

QLCGXXYDHCTVKP-UHFFFAOYSA-N

InChI

InChI=1S/C14H19ClO/c1-13(2,3)14(10-16-14)9-8-11-4-6-12(15)7-5-11/h4-7H,8-10H2,1-3H3

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Names and synonyms

2 names

Oxirane, 2-[2-(4-chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-
2-tert-Butyl-2-[2-(4-chlorophenyl)ethyl]oxirane

Work with 2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)oxirane

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

Tebuconazole107534-96-343 % similar Tebuconazole80443-41-043 % similar 1-(2-Bromoethyl)-4-chlorobenzene6529-53-941 % similar 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone66346-01-840 % similar 1-Butyl-4-chlorobenzene15499-27-139 % similar 1-Chloro-4-ethylbenzene622-98-038 % similar 2-(4-Chlorophenyl)ethylamine156-41-237 % similar 4-Chlorobenzeneethanol1875-88-337 % similar

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

Same formula

4-Chloro-1-[4-(1,1-dimethylethyl)phenyl]-1-butanone43076-61-5 4-Heptylbenzoyl chloride50606-96-7

Elsewhere

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