chempirical

Ethyl 2-methoxy-6-methylbenzoate

C11H14O3CAS 6520-83-8194.23 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
93–95 °C (at 0.5 Torr)
logP
2.18Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
6520-83-8
SMILES
CCOC(=O)c1c(C)cccc1OC
InChIKey
GQLSLEBNODXANJ-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-4-14-11(12)10-8(2)6-5-7-9(10)13-3/h5-7H,4H2,1-3H3

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Names and synonyms

3 names
  • Benzoic acid, 2-methoxy-6-methyl-, ethyl ester
  • o-Anisic acid, 6-methyl-, ethyl ester
  • 2-Methoxy-6-methylbenzoic acid ethyl ester

Work with Ethyl 2-methoxy-6-methylbenzoate

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 2-hydroxy-6-methylbenzoate6555-40-463 % similar Ethyl 2-methoxybenzoate7335-26-460 % similar 2-Methoxy-6-methylbenzoic acid6161-65-556 % similar Ethyl 2-methylbenzoate87-24-155 % similar Methyl 2,6-dimethoxybenzoate2065-27-251 % similar Ethyl 2,4,6-trimethylbenzoate1754-55-851 % similar Ethyl 3,4,5-trimethoxybenzoate6178-44-549 % similar Ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate2199-51-148 % 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 Ethyl 4-ethoxybenzoate23676-09-7 1,1-Dimethylethyl 4-hydroxybenzoate25804-49-3

Elsewhere

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