Ethyl 3,4,5-trimethoxybenzoate

C₁₂H₁₆O₅CAS 6178-44-5240.25 g/mol

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Properties

Molecular formula: C₁₂H₁₆O₅
Molar mass: 240.25 g/mol
Exact mass: 240.0998 Da
Melting point: 53 °C
Boiling point: 180–181 °C (at 12 Torr)
logP: 1.89Crippen estimate
Polar surface area: 54.0 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6178-44-5

SMILES

CCOC(=O)c1cc(OC)c(OC)c(OC)c1

InChIKey

UEOFNBCUGJADBM-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O5/c1-5-17-12(13)8-6-9(14-2)11(16-4)10(7-8)15-3/h6-7H,5H2,1-4H3

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Names and synonyms

3 names

Benzoic acid, 3,4,5-trimethoxy-, ethyl ester
NSC 26825
3,4,5-Trimethoxybenzoic acid ethyl ester

Work with Ethyl 3,4,5-trimethoxybenzoate

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 3,4,5-trimethoxybenzoate1916-07-065 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-465 % similar Ethyl (3,4,5-trimethoxybenzoyl)acetate3044-56-263 % similar Ethyl vanillate617-05-063 % similar Ethyl 4-methoxybenzoate94-30-457 % similar Diethyl terephthalate636-09-955 % similar 8-(Diethylamino)octyl 3,4,5-trimethoxybenzoate hydrochloride53464-72-554 % similar Ethyl 3,5-dichlorobenzoate91085-56-254 % similar

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

Same formula

4-(4-Hydroxymethyl-3-methoxyphenoxy)-butyric acid136849-75-7 3-(3,4,5-Trimethoxyphenyl)propionic acid25173-72-2 Phenylmethyl β-L-arabinopyranoside7473-38-3

Elsewhere

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