Dimethyl 2-(2-methoxyphenoxy)malonate

C₁₂H₁₄O₆CAS 150726-89-9254.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₄O₆
Molar mass: 254.24 g/mol
Exact mass: 254.0790 Da
logP: 0.79Crippen estimate
Polar surface area: 71.1 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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 alpha-phenylbenzeneacetate3469-00-947 % similar 2-Methoxyphenyl acetate15212-03-046 % similar Methyl 2,6-dimethoxybenzoate2065-27-246 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-945 % 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

PubChem CAS Common Chemistry NIST WebBook