4-Cyanophenyl-4-(6-(acryloyloxy)hexyloxy)benzoate

C₂₃H₂₃NO₅CAS 83847-14-7393.44 g/mol

Open in Covalent MOL file

Alkene Ester Ether Nitrile

Properties

Molecular formula: C₂₃H₂₃NO₅
Molar mass: 393.44 g/mol
Exact mass: 393.1576 Da
logP: 4.45Crippen estimate
Polar surface area: 85.6 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 11

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P501

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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Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

4-Cyanophenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate
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-(acryloyloxy)hexyloxy)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-[4-[(1-Oxo-2-propenyl)oxy]butoxy]benzoic acid [1,1'-biphenyl]-4-yl ester245760-39-872 % similar 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 2-Methyl-1,4-phenylene bis(4-(3-(acryloyloxy)propoxy)benzoate)174063-87-759 % similar 4-((11-(Acryloyloxy)undecyl)oxy)benzoic acid106620-90-058 % similar 4-((6-(Acryloyloxy)hexyl)oxy)benzoic acid83883-26-558 % similar 4-(4-Acryloxy-butyl-1-oxy)-benzoic acid69260-42-056 % similar 6-(4-Hydroxyphenoxy)hexyl prop-2-enoate161841-12-956 % similar

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

Elsewhere

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