Diethyl 4,4'-biphenyldicarboxylate

C₁₈H₁₈O₄CAS 47230-38-6298.34 g/mol

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Properties

Molecular formula: C₁₈H₁₈O₄
Molar mass: 298.34 g/mol
Exact mass: 298.1205 Da
logP: 3.71Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

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

47230-38-6

SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCC

InChIKey

SYTZNHBXNLYWAK-UHFFFAOYSA-N

InChI

InChI=1S/C18H18O4/c1-3-21-17(19)15-9-5-13(6-10-15)14-7-11-16(12-8-14)18(20)22-4-2/h5-12H,3-4H2,1-2H3

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Names and synonyms

1 names

Diethyl biphenyl-4,4'-dicarboxylate

Work with Diethyl 4,4'-biphenyldicarboxylate

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

Diethyl terephthalate636-09-988 % similar Ethyl 4-methylbenzoate94-08-672 % similar Ethyl benzoate93-89-071 % similar Ethylparaben120-47-870 % similar Ethyl 4-ethoxybenzoate23676-09-770 % similar Ethyl 4-acetylbenzoate38430-55-670 % similar Ethyl 4-fluorobenzoate451-46-770 % similar Ethyl 4-iodobenzoate51934-41-970 % similar

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

Same formula

Dibenzyl succinate103-43-5

Elsewhere

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