chempirical

Ethyl 3,4-bis(2-methoxyethoxy)benzoate

C15H22O6CAS 183322-16-9298.33 g/mol

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Properties

Molecular formula
C15H22O6
Molar mass
298.33 g/mol
Exact mass
298.1416 Da
Melting point
55–58 °C
logP
1.91Crippen estimate
Polar surface area
63.2 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
10

Identifiers

CAS number
183322-16-9
SMILES
CCOC(=O)c1ccc(OCCOC)c(OCCOC)c1
InChIKey
VGFZRAVMWXHEJB-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O6/c1-4-19-15(16)12-5-6-13(20-9-7-17-2)14(11-12)21-10-8-18-3/h5-6,11H,4,7-10H2,1-3H3

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Names and synonyms

1 names
  • Benzoic acid, 3,4-bis(2-methoxyethoxy)-, ethyl ester

Work with Ethyl 3,4-bis(2-methoxyethoxy)benzoate

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

2-Amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride183322-17-058 % similar Ethyl 4,5-bis(2-methoxyethoxy)-2-nitrobenzoate179688-26-755 % similar Ethyl vanillate617-05-054 % similar Diethyl terephthalate636-09-954 % similar Ethyl 4-ethoxybenzoate23676-09-754 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-353 % similar Ethyl protocatechuate3943-89-351 % similar Ethyl 3,4-difluorobenzoate144267-96-950 % similar

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

Elsewhere

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