Diphenyl succinate

C16H14O4CAS 621-14-7270.28 g/mol

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Ester

Properties

Molecular formula
C16H14O4
Molar mass
270.28 g/mol
Exact mass
270.0892 Da
logP
2.98Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

Danger
Health Hazard (GHS08)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P271, P284, P304+P340, P342+P316, P403, P501

Identifiers

CAS number
621-14-7
SMILES
C1=CC=C(C=C1)OC(=O)CCC(=O)OC2=CC=CC=C2
InChIKey
YDPPRPIIZGLGCJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O4/c17-15(19-13-7-3-1-4-8-13)11-12-16(18)20-14-9-5-2-6-10-14/h1-10H,11-12H2

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Names and synonyms

5 names
  • Diphenyl butanedioate
  • Butanedioic acid, diphenyl ester
  • Succinic acid, diphenyl ester
  • Butanedioic acid, 1,4-diphenyl ester
  • Butanedioic acid diphenyl ester

Reactions

Work with Diphenyl succinate

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

Phenyl bromoacetate620-72-467 % similar Phenyl stearate637-55-865 % similar Diphenyl carbonate102-09-056 % similar Dibenzyl succinate103-43-552 % similar Phenoxyacetic anhydride14316-61-152 % similar p-Cresyl phenylacetate101-94-050 % similar Dihydrocoumarin119-84-650 % similar Phenyl acetate122-79-250 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4′-Dimethoxybenzil1226-42-2 Cardamomin19309-14-9 1-(Phenylmethyl) 2-phenylpropanedioate25774-02-1 3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-dicarbaldehyde27343-98-2 Medicarpin32383-76-9 4,4'-Diacetoxybiphenyl32604-29-8 Echinatin34221-41-5 Alpinetin36052-37-6

Elsewhere

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