4-[4-[(1-Oxo-2-propenyl)oxy]butoxy]benzoic acid [1,1'-biphenyl]-4-yl ester

C₂₆H₂₄O₅CAS 245760-39-8416.47 g/mol

Open in Covalent MOL file

Alkene Ester Ether

Properties

Molecular formula: C₂₆H₂₄O₅
Molar mass: 416.47 g/mol
Exact mass: 416.1624 Da
logP: 5.46Crippen estimate
Polar surface area: 61.8 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 10

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

245760-39-8

SMILES

C=CC(=O)OCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3

InChIKey

BTEWCIUTIIUMPB-UHFFFAOYSA-N

InChI

InChI=1S/C26H24O5/c1-2-25(27)30-19-7-6-18-29-23-14-12-22(13-15-23)26(28)31-24-16-10-21(11-17-24)20-8-4-3-5-9-20/h2-5,8-17H,1,6-7,18-19H2

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Work with 4-[4-[(1-Oxo-2-propenyl)oxy]butoxy]benzoic acid [1,1'-biphenyl]-4-yl ester

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]benzoate82200-53-173 % 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]125248-71-764 % similar 2-Methyl-1,4-phenylene bis(4-(3-(acryloyloxy)propoxy)benzoate)174063-87-762 % similar 4-(4-Acryloxy-butyl-1-oxy)-benzoic acid69260-42-060 % 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 4-(3-(Acryloyloxy)propoxy)benzoic acid245349-46-657 % similar

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

Elsewhere

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