chempirical

4-Cyanophenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate

C23H23NO5CAS 83847-14-7393.44 g/mol

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AlkeneEsterEtherNitrile

Properties

Molecular formula
C23H23NO5
Molar mass
393.44 g/mol
Exact mass
393.1576 Da
logP
4.45Crippen estimate
Polar surface area
85.6 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
11

Identifiers

CAS number
83847-14-7
SMILES
C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1
InChIKey
LNEDNZUQKOGNLJ-UHFFFAOYSA-N
InChI
InChI=1S/C23H23NO5/c1-2-22(25)28-16-6-4-3-5-15-27-20-13-9-19(10-14-20)23(26)29-21-11-7-18(17-24)8-12-21/h2,7-14H,1,3-6,15-16H2

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Names and synonyms

9 names
  • Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 4-cyanophenyl ester
  • Benzoic acid, 4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]-, 4-cyanophenyl ester
  • 4-Cyanophenyl-4′-(6-acryloyloxyhexyloxy)benzoate
  • 4-Cyanophenol 4-(6-acryloyloxyhexyloxy)benzoate
  • HCM 020
  • 4-Cyanophenyl 4-[[6-(acryloyloxy)hexyl]oxy]benzoate
  • 6-[4-(4-Cyanophenoxycarbonyl)phenoxy]hexyl acrylate
  • RM 23
  • RM 32

Work with 4-Cyanophenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]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

4-Methoxyphenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate82200-53-172 % similar 1,1′-(2-Methyl-1,4-phenylene) bis[4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate]125248-71-763 % similar 4-((11-(Acryloyloxy)undecyl)oxy)benzoic acid106620-90-058 % similar 4-[[6-[(1-Oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoic acid83883-26-558 % similar 1,1′-(2-Methyl-1,4-phenylene) bis[4-[[[4-[(1-oxo-2-propen-1-yl)oxy]butoxy]carbonyl]oxy]benzoate]187585-64-452 % similar 4-Cyanophenyl 4-heptylbenzoate38690-76-552 % similar 4-Cyanophenyl 4-butylbenzoate38690-77-651 % similar Phenoxyethyl acrylate48145-04-647 % similar

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

Elsewhere

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