chempirical

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

C23H26O6CAS 82200-53-1398.46 g/mol

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AlkeneEsterEther

Properties

Molecular formula
C23H26O6
Molar mass
398.46 g/mol
Exact mass
398.1729 Da
logP
4.58Crippen estimate
Polar surface area
71.1 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
12

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
82200-53-1
SMILES
C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC)cc2)cc1
InChIKey
JWXYMBDCGNXXRO-UHFFFAOYSA-N
InChI
InChI=1S/C23H26O6/c1-3-22(24)28-17-7-5-4-6-16-27-20-10-8-18(9-11-20)23(25)29-21-14-12-19(26-2)13-15-21/h3,8-15H,1,4-7,16-17H2,2H3

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 4-methoxyphenyl ester
  • Benzoic acid, 4-[[6-[(1-oxo-2-propenyl)oxy]hexyl]oxy]-, 4-methoxyphenyl ester
  • 4-Methoxyphenyl 4-[[6-(acryloyloxy)hexyl]oxy]benzoate
  • HCM 021
  • RM 105
  • 4-Methoxyphenyl 4-(6-(1-oxo-2-propenyloxy)hexyloxy)benzoate
  • RM 006

Work with 4-Methoxyphenyl 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-[4-[(1-Oxo-2-propenyl)oxy]butoxy]benzoic acid [1,1'-biphenyl]-4-yl ester245760-39-873 % similar 4-Cyanophenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate83847-14-772 % similar 1,1′-(2-Methyl-1,4-phenylene) bis[4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate]125248-71-770 % similar 2-Methyl-1,4-phenylene bis(4-(3-(acryloyloxy)propoxy)benzoate)174063-87-765 % similar 4-((11-(Acryloyloxy)undecyl)oxy)benzoic acid106620-90-062 % similar 4-[[6-[(1-Oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoic acid83883-26-562 % similar 4-(4-Acryloxy-butyl-1-oxy)-benzoic acid69260-42-060 % similar 6-(4-Hydroxyphenoxy)hexyl prop-2-enoate161841-12-959 % similar

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

Elsewhere

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