chempirical

1,4-Diphenyl 1,4-benzenedicarboxylate

C20H14O4CAS 1539-04-4318.33 g/mol

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Ester

Properties

Molecular formula
C20H14O4
Molar mass
318.33 g/mol
Exact mass
318.0892 Da
Melting point
199–200 °C
logP
4.13Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
1539-04-4
SMILES
O=C(Oc1ccccc1)c1ccc(C(=O)Oc2ccccc2)cc1
InChIKey
HPGJOUYGWKFYQW-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O4/c21-19(23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)24-18-9-5-2-6-10-18/h1-14H

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Names and synonyms

6 names
  • 1,4-Benzenedicarboxylic acid, 1,4-diphenyl ester
  • Terephthalic acid, diphenyl ester
  • 1,4-Benzenedicarboxylic acid, diphenyl ester
  • Diphenyl terephthalate
  • Diphenyl 1,4-benzenedicarboxylate
  • NSC 402474

Work with 1,4-Diphenyl 1,4-benzenedicarboxylate

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 benzoate93-99-291 % similar Phenyl 4-hydroxybenzoate17696-62-778 % similar p-Biphenylyl benzoate2170-13-070 % similar p-Chlorophenyl benzoate2005-08-566 % similar p-Hydroxyphenyl benzoate2444-19-166 % similar Phenyl 3-pyridinecarboxylate3468-53-961 % similar 3-Hydroxyphenyl benzoate136-36-759 % similar β-Naphthyl benzoate93-44-758 % similar

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

Same formula

4,6-Dibenzoylresorcinol3088-15-1 Diphenyl isophthalate744-45-6 Phenolphthalein77-09-8 2-[(6-Hydroxy[1,1′-biphenyl]-3-yl)carbonyl]benzoic acid84627-04-3 Diphenyl phthalate84-62-8 1,3-Phenylene dibenzoate94-01-9

Elsewhere

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