chempirical

Ethyl 4-ethoxybenzoate

C11H14O3CAS 23676-09-7194.23 g/mol

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OOO
EsterEther

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Boiling point
275 °C
logP
2.26Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
23676-09-7
SMILES
CCOC(=O)c1ccc(OCC)cc1
InChIKey
HRAQMGWTPNOILP-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-3-13-10-7-5-9(6-8-10)11(12)14-4-2/h5-8H,3-4H2,1-2H3

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Names and synonyms

7 names
  • Benzoic acid, 4-ethoxy-, ethyl ester
  • Benzoic acid, p-ethoxy-, ethyl ester
  • Ethyl p-ethoxybenzoate
  • p-Ethoxyethyl benzoate
  • 4-Ethoxybenzoic acid ethyl ester
  • NSC 405367
  • 4-Ethoxy ethylbenzoate

Work with Ethyl 4-ethoxybenzoate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl terephthalate636-09-978 % similar Methyl 4-ethoxybenzoate23676-08-672 % similar Ethyl 4-methoxybenzoate94-30-472 % similar Ethyl 4-(phenylmethoxy)benzoate56441-55-569 % similar Ethyl 4-methylbenzoate94-08-666 % similar Ethyl benzoate93-89-065 % similar Ethylparaben120-47-864 % similar Ethyl 4-fluorobenzoate451-46-764 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3 Ethyl 3-methoxybenzeneacetate35553-92-5

Elsewhere

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