Ethyl 2-ethoxybenzoate

C11H14O3CAS 6290-24-0194.23 g/mol

Open in Covalent MOL file
OOO
EsterEther

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
Boiling point
81 °C (at 1 Torr)
logP
2.26Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P501

Identifiers

CAS number
6290-24-0
SMILES
CCOC(=O)c1ccccc1OCC
InChIKey
OUZCDRGUTZLAGO-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-3-13-10-8-6-5-7-9(10)11(12)14-4-2/h5-8H,3-4H2,1-2H3

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Names and synonyms

4 names
  • Benzoic acid, 2-ethoxy-, ethyl ester
  • NSC 6584
  • 2-Ethoxybenzoic acid ethyl ester
  • Benzoic acid, o-ethoxy-, ethyl ester

Work with Ethyl 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-ethoxybenzoate3686-55-374 % similar Ethyl 2-methoxybenzoate7335-26-474 % similar Diethyl phthalate84-66-273 % similar 1-(2-Ethoxyphenyl)ethanone2142-67-863 % similar Ethyl 2-bromobenzoate6091-64-163 % similar Ethyl 2-methylbenzoate87-24-163 % similar Ethyl salicylate118-61-661 % similar 2-Ethoxybenzoic acid134-11-261 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Zingerone122-48-5 Ethyl 4-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Methyl 3-(4-methoxyphenyl)propanoate15823-04-8 4-Isopropylphenoxyacetic acid1643-16-9 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4

Elsewhere

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