chempirical

1,3-Diethyl 2-(2-phenylethyl)propanedioate

C15H20O4CAS 6628-68-8264.32 g/mol

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Ester

Properties

Molecular formula
C15H20O4
Molar mass
264.32 g/mol
Exact mass
264.1362 Da
Boiling point
185 °C (at 15 Torr)
logP
2.36Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
7

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
6628-68-8
SMILES
CCOC(=O)C(CCc1ccccc1)C(=O)OCC
InChIKey
LMFLGETWXFOVMQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Propanedioic acid, 2-(2-phenylethyl)-, 1,3-diethyl ester
  • Malonic acid, phenethyl-, diethyl ester
  • Propanedioic acid, (2-phenylethyl)-, diethyl ester
  • Diethyl 2-phenethylmalonate
  • Diethyl phenethylmalonate
  • Diethyl (2-phenylethyl)malonate
  • Diethyl 2-(2-phenylethyl)propanedioate
  • (2-Phenylethyl)propanedioic acid diethyl ester
  • NSC 60931

Work with 1,3-Diethyl 2-(2-phenylethyl)propanedioate

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

1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-874 % similar Ethyl (S)-2-hydroxy-4-phenylbutyrate125639-64-770 % similar Ethyl 2,4-diphenylbutanoate53608-81-470 % similar Ethyl (R)-2-hydroxy-4-phenylbutyrate90315-82-570 % similar (S)-Ethyl 2-amino-4-phenylbutanoate hydrochloride90891-21-765 % similar Ethyl alpha-benzylacetoacetate620-79-164 % similar Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate39514-19-759 % similar Diethyl phenylmalonate83-13-658 % similar

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

Same formula

(2'S,3'R,6'R)-2',3'-Dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one1149-99-1 6-(4-Hydroxyphenoxy)hexyl prop-2-enoate161841-12-9 Abscisic acid21293-29-8 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-5 n-Octanoyl-5-salicylic acid78418-01-6

Elsewhere

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