chempirical

Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate

C15H14O3CAS 62071-76-5242.27 g/mol

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OOO
EsterKetone

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
logP
2.98Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

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
62071-76-5
SMILES
CCOC(=O)CC(=O)C1=CC=CC2=CC=CC=C21
InChIKey
JFWSFANXHXCJOY-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c1-2-18-15(17)10-14(16)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3

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Names and synonyms

1 names
  • 3-Naphthalen-1-yl-3-oxo-propionic acid ethyl ester

Work with Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate

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

Ethyl 2-methyl-β-oxobenzenepropanoate51725-82-766 % similar 3-(2-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester1479-24-964 % similar Ethyl 1-naphthalenecarboxylate3007-97-463 % similar Ethyl 3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate89424-17-961 % similar Ethyl 1-naphthylacetate2122-70-561 % similar Ethyl benzoylacetate94-02-060 % similar Ethyl 3-(2-furyl)-3-oxopropanoate615-09-855 % similar Ethyl 3-oxo-3-(pyridin-2-yl)propanoate26510-52-153 % similar

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

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-1 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-0 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-3 Fenoprofen31879-05-7 Methyl 4-benzyloxybenzoate32122-11-5 4-Methoxyresveratrol33626-08-3

Elsewhere

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