Diethyl 2-(4-(benzyloxy)benzylidene)malonate

C₂₁H₂₂O₅CAS 53361-40-3354.40 g/mol

Open in Covalent MOL file

Alkene Ester Ether

Properties

Molecular formula: C₂₁H₂₂O₅
Molar mass: 354.40 g/mol
Exact mass: 354.1467 Da
logP: 3.78Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 8

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

53361-40-3

SMILES

CCOC(=O)C(=CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OCC

InChIKey

VWHQKXNYOOUFKX-UHFFFAOYSA-N

InChI

InChI=1S/C21H22O5/c1-3-24-20(22)19(21(23)25-4-2)14-16-10-12-18(13-11-16)26-15-17-8-6-5-7-9-17/h5-14H,3-4,15H2,1-2H3

Weigh it out

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Work with Diethyl 2-(4-(benzyloxy)benzylidene)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

Diethyl benzylidenemalonate5292-53-570 % similar Ethyl 4-(phenylmethoxy)benzoate56441-55-559 % similar Ethyl benzalmalonate24302-10-157 % similar 4-(Benzyloxy)benzaldehyde4397-53-950 % similar 1-[4-(Phenylmethoxy)phenyl]-1-propanone4495-66-349 % similar 4-Benzyloxyacetophenone54696-05-847 % similar Ethyl alpha-oxobenzenebutanoate64920-29-247 % similar Hydroquinone dibenzyl ether621-91-046 % similar

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

Same formula

Licochalcone D144506-15-0 Xanthohumol6754-58-1 Isoxanthohumol70872-29-6 Notopterol88206-46-6

Elsewhere

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