chempirical

2-Ethyl-2-phenylbutyric acid

C12H16O2CAS 5465-28-1192.26 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C12H16O2
Molar mass
192.26 g/mol
Exact mass
192.1150 Da
Melting point
93 °C
logP
2.83Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
5465-28-1
SMILES
CCC(CC)(C(=O)O)c1ccccc1
InChIKey
PYXQBGGQMBEYLO-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O2/c1-3-12(4-2,11(13)14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,14)

Weigh it out

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

Names and synonyms

6 names
  • Benzeneacetic acid, α,α-diethyl-
  • Butyric acid, 2-ethyl-2-phenyl-
  • α,α-Diethylbenzeneacetic acid
  • 2-Phenyl-2-ethylbutyric acid
  • NSC 28953
  • 2-Ethyl-2-phenylbutanoic acid

Work with 2-Ethyl-2-phenylbutyric acid

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-Phenylcyclopropanecarboxylic acid6120-95-269 % similar 1-Phenylcyclopentanecarboxylic acid77-55-465 % similar 1-Phenylcyclohexanecarboxylic acid1135-67-763 % similar 2-Amino-2-phenylbutyric acid5438-07-362 % similar 4-Phenyl-4-piperidinecarboxylic acid3627-45-059 % similar (±)-Glutethimide77-21-455 % similar Triphenylacetic acid595-91-553 % similar 2,2-Diphenylpropionic acid5558-66-753 % 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

PubChem CAS Common Chemistry NIST WebBook