1-(5-Chloro-2-methoxyphenyl)ethanone

C₉H₉ClO₂CAS 6342-64-9184.62 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₉H₉ClO₂
Molar mass: 184.62 g/mol
Exact mass: 184.0291 Da
Melting point: 29–30 °C
Boiling point: 135 °C
logP: 2.55Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

6342-64-9

SMILES

COc1ccc(Cl)cc1C(C)=O

InChIKey

QPIUQLBBCQTWMJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H9ClO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3

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

Names and synonyms

4 names

Ethanone, 1-(5-chloro-2-methoxyphenyl)-
Acetophenone, 5′-chloro-2′-methoxy-
5′-Chloro-2′-methoxyacetophenone
NSC 46629

Work with 1-(5-Chloro-2-methoxyphenyl)ethanone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2′,5′-Dimethoxyacetophenone1201-38-366 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-065 % similar 5-Chloro-2-methoxybenzoic acid3438-16-265 % similar 1-(2,5-Dichlorophenyl)ethanone2476-37-160 % similar 2′-Methoxyacetophenone579-74-857 % similar 5′-Chloro-2′-hydroxyacetophenone1450-74-457 % similar 3,4-Dimethoxyacetophenone1131-62-056 % similar 2′,4′-Dichloroacetophenone2234-16-456 % similar

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

Same formula

Ethyl m-chlorobenzoate1128-76-3 2-Phenoxypropanoyl chloride122-35-0 Phenylmethyl 2-chloroacetate140-18-1 4-Ethoxybenzoyl chloride16331-46-7 3-(3-Chlorophenyl)propanoic acid21640-48-2 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-8 2-(4-Chlorophenyl)-1,3-dioxolane2403-54-5 1-[3-(Chloromethyl)-4-hydroxyphenyl]ethanone24085-05-0

Elsewhere

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