chempirical

Dimethyl 2-(2-methoxyphenoxy)malonate

C12H14O6CAS 150726-89-9254.24 g/mol

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EsterEther

Properties

Molecular formula
C12H14O6
Molar mass
254.24 g/mol
Exact mass
254.0790 Da
logP
0.79Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
5

Identifiers

CAS number
150726-89-9
SMILES
COC(=O)C(Oc1ccccc1OC)C(=O)OC
InChIKey
SBUXKADXTZOBJV-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3

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Names and synonyms

5 names
  • Propanedioic acid, 2-(2-methoxyphenoxy)-, 1,3-dimethyl ester
  • Propanedioic acid, (2-methoxyphenoxy)-, dimethyl ester
  • Dimethyl 2-methoxyphenoxymalonate
  • Dimethyl (o-methoxyphenoxy)malonate
  • 1,3-Dimethyl 2-(2-methoxyphenoxy)propanedioate

Work with Dimethyl 2-(2-methoxyphenoxy)malonate

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-methoxybenzeneacetate27798-60-349 % similar Methyl 2-methoxybenzoate606-45-149 % similar Guaiacol carbonate553-17-349 % similar 1,2-Dimethoxybenzene91-16-748 % similar Methyl α-phenylbenzeneacetate3469-00-947 % similar Methyl 2,6-dimethoxybenzoate2065-27-246 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-945 % similar Methyl (αS)-α-hydroxybenzenepropanoate13673-95-544 % similar

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

Same formula

Diethyl 2,5-dihydroxyterephthalate5870-38-2 Bis(2-hydroxyethyl) terephthalate959-26-2

Elsewhere

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