Ethyl 2-(2-acetyl-5-((3-methylbut-2-en-1-yl)oxy)phenoxy)acetate

C₁₇H₂₂O₅CAS 64506-46-3306.36 g/mol

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Alkene Ester Ether Ketone

Properties

Molecular formula: C₁₇H₂₂O₅
Molar mass: 306.36 g/mol
Exact mass: 306.1467 Da
logP: 3.18Crippen 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

64506-46-3

SMILES

CCOC(=O)COC1=C(C=CC(=C1)OCC=C(C)C)C(=O)C

InChIKey

JSTNTJMMYLABFH-UHFFFAOYSA-N

InChI

InChI=1S/C17H22O5/c1-5-20-17(19)11-22-16-10-14(21-9-8-12(2)3)6-7-15(16)13(4)18/h6-8,10H,5,9,11H2,1-4H3

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Names and synonyms

1 names

2'-Ethoxycarbonylmethoxy-4'-(3-methyl-2-butenyloxy) acetophenone

Work with Ethyl 2-(2-acetyl-5-((3-methylbut-2-en-1-yl)oxy)phenoxy)acetate

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

Sofalcone64506-49-652 % similar Ethyl 2,4-dichlorophenoxyacetate533-23-345 % similar Ethyl 2-phenoxyacetate2555-49-943 % similar Ethyl 2-(2-formylphenoxy)acetate41873-61-443 % similar Ethyl 2-(2-methylphenoxy)acetate93917-68-143 % similar 1-(2-Ethoxyphenyl)ethanone2142-67-840 % similar 2′,4′-Dimethoxyacetophenone829-20-940 % similar 4'-(3-Methyl-2-butyenyloxy)benzaldehyde28090-12-240 % similar

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

Same formula

4-([6-(Methacryloyloxy)hexyl]oxy)benzenecarboxylic acid91652-00-5

Elsewhere

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