chempirical

Ethyl 2-phenylisobutyrate

C12H16O2CAS 2901-13-5192.26 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C12H16O2
Molar mass
192.26 g/mol
Exact mass
192.1150 Da
Density
1.0039 g/mL (at 20 °C)
Boiling point
68–71 °C (at NaN Torr)
logP
2.53Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
2901-13-5
SMILES
CCOC(=O)C(C)(C)c1ccccc1
InChIKey
OFYSAFPKXXTYLU-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O2/c1-4-14-11(13)12(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3

Weigh it out

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

Names and synonyms

8 names
  • Benzeneacetic acid, α,α-dimethyl-, ethyl ester
  • Hydratropic acid, α-methyl-, ethyl ester
  • Ethyl dimethylphenylacetate
  • Ethyl α,α-dimethylbenzeneacetate
  • Ethyl α,α-dimethylphenylacetate
  • NSC 29060
  • Ethyl 2-methyl-2-phenylpropanoate
  • Ethyl 2-methyl-2-phenylpropionate

Work with Ethyl 2-phenylisobutyrate

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

Ethyl benzilate52182-15-764 % similar Ethyl α,α-dichlorobenzeneacetate5317-66-864 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-564 % similar Ethyl α-cyano-α-ethylbenzeneacetate718-71-857 % similar Ethyl 4-(4-chloro-1-oxobutyl)-α,α-dimethylbenzeneacetate76811-97-756 % similar Ethyl methylphenylglycidate77-83-851 % similar Ethyl phenylacetate101-97-349 % similar 2-Methyl-2-phenylpropanoic acid826-55-149 % similar

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

Same formula

Isobutyl phenylacetate102-13-6 Benzyl isovalerate103-38-8 2-Phenylethyl isobutyrate103-48-0 2-Phenylethyl butanoate103-52-6 Butyl phenylacetate122-43-0 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-0 1,1-Dimethylethyl 4-methylbenzoate13756-42-8 Dimethylbenzylcarbinyl acetate151-05-3

Elsewhere

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