chempirical

Diphenyl phthalate

C20H14O4CAS 84-62-8318.33 g/mol

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Ester

Properties

Molecular formula
C20H14O4
Molar mass
318.33 g/mol
Exact mass
318.0892 Da
Melting point
73 °C
Boiling point
255 °C
logP
4.13Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
84-62-8
SMILES
O=C(Oc1ccccc1)c1ccccc1C(=O)Oc1ccccc1
InChIKey
DWNAQMUDCDVSLT-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O4/c21-19(23-15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)24-16-11-5-2-6-12-16/h1-14H

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

Names and synonyms

6 names
  • 1,2-Benzenedicarboxylic acid, 1,2-diphenyl ester
  • Phthalic acid, diphenyl ester
  • 1,2-Benzenedicarboxylic acid, diphenyl ester
  • Phenyl phthalate
  • NSC 4052
  • 1,2-Diphenyl benzene-1,2-dicarboxylate

Work with Diphenyl phthalate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenyl salicylate118-55-871 % similar Phenyl benzoate93-99-268 % similar Phthalic anhydride85-44-958 % similar Diphenyl carbonate102-09-056 % similar Phenyl 4-hydroxybenzoate17696-62-755 % similar Phenyl 1-hydroxy-2-naphthoate132-54-754 % similar p-Biphenylyl benzoate2170-13-053 % similar Phenyl 4-aminosalicylate133-11-953 % similar

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

Same formula

[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-4 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-4 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 1,3-Phenylene dibenzoate94-01-9

Elsewhere

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