chempirical

Ethyl 2,4-diphenylbutanoate

C18H20O2CAS 53608-81-4268.36 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C18H20O2
Molar mass
268.36 g/mol
Exact mass
268.1463 Da
logP
3.97Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
53608-81-4
SMILES
CCOC(=O)C(CCC1=CC=CC=C1)C2=CC=CC=C2
InChIKey
SJMGLWKVOOIJRS-UHFFFAOYSA-N
InChI
InChI=1S/C18H20O2/c1-2-20-18(19)17(16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-12,17H,2,13-14H2,1H3

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Names and synonyms

1 names
  • 2,4-Diphenyl-butyric acid ethyl ester

Work with Ethyl 2,4-diphenylbutanoate

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-(2-phenylethyl)propanedioate6628-68-870 % similar Ethyl (S)-2-hydroxy-4-phenylbutyrate125639-64-765 % similar Ethyl (R)-2-hydroxy-4-phenylbutyrate90315-82-565 % similar Ethyl α-chlorobenzeneacetate4773-33-559 % similar 1,3-Diethyl 2-(phenylmethyl)propanedioate607-81-859 % similar (-)-Ethyl mandelate10606-72-157 % similar Ethyl α-bromobenzeneacetate2882-19-157 % similar (±)-Ethyl mandelate4358-88-757 % similar

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

Same formula

tert-Butyl 4'-methylbiphenyl-2-carboxylate114772-36-0 Benzoin isobutyl ether22499-12-3 Trendione4642-95-9 Equilin474-86-2 Diethylstilbestrol56-53-1 4′-Pentyl[1,1′-biphenyl]-4-carboxylic acid59662-47-4 Bisphenol Z843-55-0

Elsewhere

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