chempirical

2-(4-Ethylphenyl)-2-methylpropanoic acid

C12H16O2CAS 1247119-83-0192.26 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C12H16O2
Molar mass
192.26 g/mol
Exact mass
192.1150 Da
logP
2.61Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
1247119-83-0
SMILES
CCC1=CC=C(C=C1)C(C)(C)C(=O)O
InChIKey
ZTABWPDSXBXQMV-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O2/c1-4-9-5-7-10(8-6-9)12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)

Weigh it out

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

Work with 2-(4-Ethylphenyl)-2-methylpropanoic 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

4-(2-Hydroxyethyl)-α,α-dimethylbenzeneacetic acid552301-45-869 % similar 2-Methyl-2-phenylpropanoic acid826-55-163 % similar 2-(4-Bromophenyl)-2-methylpropanoic acid32454-35-660 % similar 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-660 % similar 4-Ethyl-3-iodo-α,α-dimethylbenzeneacetic acid1256584-73-259 % similar 4-Ethylbenzoic acid619-64-747 % similar 4-(1,1-Dimethylethyl)benzeneacetic acid32857-63-944 % similar 4-Ethylbenzophenone18220-90-142 % 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 1,1-Dimethylethyl 4-methylbenzoate13756-42-8 Dimethylbenzylcarbinyl acetate151-05-3 1-Ethenyl-4-(1-ethoxyethoxy)benzene157057-20-0

Elsewhere

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