chempirical

Ethyl 3-phenoxypropionate

C11H14O3CAS 22409-91-2194.23 g/mol

Open in Covalent MOL file
OOO
EsterEther

Properties

Molecular formula
C11H14O3
Molar mass
194.23 g/mol
Exact mass
194.0943 Da
logP
2.02Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
5

Identifiers

CAS number
22409-91-2
SMILES
CCOC(=O)CCOC1=CC=CC=C1
InChIKey
TXKJOPXGYSFUNC-UHFFFAOYSA-N
InChI
InChI=1S/C11H14O3/c1-2-13-11(12)8-9-14-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3

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Work with Ethyl 3-phenoxypropionate

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 2-phenoxyacetate2555-49-971 % similar Ethyl 3-phenylpropanoate2021-28-563 % similar Ethyl phenylacetate101-97-356 % similar Ethyl phenyl ether103-73-155 % similar N-(Phenylmethyl)-β-alanine ethyl ester23583-21-354 % similar Ethyl 3-ethoxypropionate763-69-953 % similar Ethyl 3-oxo-3-(pyridin-2-yl)propanoate26510-52-152 % similar Diethyl succinate123-25-152 % similar

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

Same formula

Zingerone122-48-5 Ethyl p-methoxyphenylacetate14062-18-1 4-Butoxybenzoic acid1498-96-0 Methyl 3-(4-methoxyphenyl)propanoate15823-04-8 4-Isopropylphenoxyacetic acid1643-16-9 Propioveratrone1835-04-7 3,4-Diethoxybenzaldehyde2029-94-9 Butyl salicylate2052-14-4

Elsewhere

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