Ethyl 2-(4-methoxyphenyl)-2-oxoacetate

C₁₁H₁₂O₄CAS 40140-16-7208.21 g/mol

Open in Covalent MOL file

Ester Ether Ketone

Properties

Molecular formula: C₁₁H₁₂O₄
Molar mass: 208.21 g/mol
Exact mass: 208.0736 Da
logP: 1.44Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

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

40140-16-7

SMILES

CCOC(=O)C(=O)C1=CC=C(C=C1)OC

InChIKey

FSFFJEWAYWRLFT-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O4/c1-3-15-11(13)10(12)8-4-6-9(14-2)7-5-8/h4-7H,3H2,1-2H3

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Names and synonyms

1 names

Ethyl 4-methoxybenzoylformate

Work with Ethyl 2-(4-methoxyphenyl)-2-oxoacetate

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 benzoylformate1603-79-866 % similar Ethyl 4-chlorobenzoylformate34966-48-865 % similar Ethyl 4-methoxybenzoate94-30-464 % similar Ethyl (4-tert-butylphenyl)(oxo)acetate80120-36-163 % similar 4,4′-Dimethoxybenzil1226-42-263 % similar Ethyl 4'-methoxy[1,1'-biphenyl]-4-carboxylate732-80-959 % similar Ethyl 3-(4-methoxyphenyl)-3-oxopropanoate2881-83-656 % similar Ethyl 3,4-dichlorophenylglyoxylate34966-52-456 % similar

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

Same formula

Ethyl caffeate102-37-4 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-9 Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate105560-93-8 3,4-Dimethoxycinnamic acid14737-89-4 2',5'-Dimethoxycinnamic acid161282-95-7 6,7-Dimethoxy-1,4-dihydro-3H-isochromen-3-one16135-41-4 (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-4 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-8

Elsewhere

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