chempirical

3-Chloro-1-(4-methoxyphenyl)propan-1-one

C10H11ClO2CAS 35999-20-3198.65 g/mol

Open in Covalent MOL file
OOCl
Alkyl halideEtherKetone

Properties

Molecular formula
C10H11ClO2
Molar mass
198.65 g/mol
Exact mass
198.0448 Da
logP
2.51Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
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
35999-20-3
SMILES
COC1=CC=C(C=C1)C(=O)CCCl
InChIKey
FJBUZSAECLLZOL-UHFFFAOYSA-N
InChI
InChI=1S/C10H11ClO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5H,6-7H2,1H3

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Names and synonyms

1 names
  • 3-Chloro-4'-methoxypropiophenone

Work with 3-Chloro-1-(4-methoxyphenyl)propan-1-one

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

4-Chloro-1-(4-methoxyphenyl)-1-butanone40877-19-882 % similar 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-870 % similar 1-(4-Methoxyphenyl)-1-butanone4160-51-468 % similar Butyl 4-methoxyphenyl ketone1671-76-764 % similar 4-Methoxy-γ-oxobenzenebutanoic acid3153-44-462 % similar 1-(4-Methoxyphenyl)-1-propanone121-97-162 % similar 1,2-Bis(4-methoxyphenyl)ethanone120-44-560 % similar 4-Methoxyphenacyl bromide2632-13-560 % similar

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

Same formula

Ethyl 4-chloromethylbenzoate1201-90-7 p-Chlorophenylacetic acid ethyl ester14062-24-9 3-(4-Methoxyphenyl)propionyl chloride15893-42-2 Ethyl α-chlorobenzeneacetate4773-33-5 Ethyl m-(chloromethyl)benzoate54589-54-7 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one62581-82-2 4-Chloro-α,α-dimethylbenzeneacetic acid6258-30-6

Elsewhere

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