chempirical

4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate

C16H14O4CAS 792-74-5270.28 g/mol

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Ester

Properties

Molecular formula
C16H14O4
Molar mass
270.28 g/mol
Exact mass
270.0892 Da
Melting point
224 °C
logP
2.93Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
792-74-5
SMILES
COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2)cc1
InChIKey
BKRIRZXWWALTPU-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3

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Names and synonyms

6 names
  • [1,1′-Biphenyl]-4,4′-dicarboxylic acid, 4,4′-dimethyl ester
  • 4,4′-Biphenyldicarboxylic acid, dimethyl ester
  • [1,1′-Biphenyl]-4,4′-dicarboxylic acid, dimethyl ester
  • Dimethyl 4,4′-biphenyldicarboxylate
  • Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate
  • 4,4′-Bis(methoxycarbonyl)biphenyl

Work with 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate

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

Dimethyl terephthalate120-61-686 % similar Methyl 4-biphenylcarboxylate720-75-284 % similar Methyl P-toluate99-75-269 % similar Methyl benzoate93-58-368 % similar Methyl 4-chlorobenzoate1126-46-167 % similar Methyl anisate121-98-267 % similar Methyl 4-fluorobenzoate403-33-867 % similar Methyl 4-bromobenzoate619-42-167 % 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 Medicarpin32383-76-9 Alpinetin36052-37-6 (-)-Pinostrobin480-37-5 Imperatorin482-44-0 Isoimperatorin482-45-1

Elsewhere

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