Ethyl 3,4-dimethoxybenzeneacetate

C₁₂H₁₆O₄CAS 18066-68-7224.26 g/mol

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Properties

Molecular formula: C₁₂H₁₆O₄
Molar mass: 224.26 g/mol
Exact mass: 224.1049 Da
Boiling point: 191 °C (at 25 Torr)
logP: 1.81Crippen estimate
Polar surface area: 44.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Identifiers

CAS number

18066-68-7

SMILES

CCOC(=O)Cc1ccc(OC)c(OC)c1

InChIKey

WZKCZNJTDZCNMH-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O4/c1-4-16-12(13)8-9-5-6-10(14-2)11(7-9)15-3/h5-7H,4,8H2,1-3H3

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Names and synonyms

5 names

Benzeneacetic acid, 3,4-dimethoxy-, ethyl ester
Acetic acid, (3,4-dimethoxyphenyl)-, ethyl ester
Ethyl 3,4-dimethoxyphenylacetate
3,4-Dimethoxyphenylacetic acid ethyl ester
NSC 10152

Work with Ethyl 3,4-dimethoxybenzeneacetate

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 p-methoxyphenylacetate14062-18-166 % similar Ethyl 3-methoxybenzeneacetate35553-92-563 % similar (3,4-Dimethoxyphenyl)acetone776-99-859 % similar 4-Ethoxy-3-methoxybenzeneacetic acid120-13-857 % similar Ethyl p-tolylacetate14062-19-256 % similar p-Chlorophenylacetic acid ethyl ester14062-24-955 % similar Ethyl 2-(4-bromophenyl)acetate14062-25-055 % similar Ethyl 4-hydroxyphenylacetate17138-28-255 % similar

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

Same formula

2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone106797-53-9 Pogostone23800-56-8 2-Phenyl-1,3-dioxane-5,5-dimethanol2425-41-4 3,4-Diethoxybenzeneacetic acid38464-04-9 1,3-Adamantanedicarboxylic acid39269-10-8 Olivetolic acid491-72-5 Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate61292-90-8 Ethylvanillin propylene glycol acetal68527-76-4

Elsewhere

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