chempirical

2-Chloro-1-(4-methoxyphenyl)ethanone

C9H9ClO2CAS 2196-99-8184.62 g/mol

Open in Covalent MOL file
OOCl
Alkyl halideEtherKetone

Properties

Molecular formula
C9H9ClO2
Molar mass
184.62 g/mol
Exact mass
184.0291 Da
Melting point
170 °C
logP
2.12Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 81 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
2196-99-8
SMILES
COc1ccc(C(=O)CCl)cc1
InChIKey
MCRINSAETDOKDE-UHFFFAOYSA-N
InChI
InChI=1S/C9H9ClO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Ethanone, 2-chloro-1-(4-methoxyphenyl)-
  • Acetophenone, 2-chloro-4′-methoxy-
  • 4-Methoxyphenacyl chloride
  • 4′-Methoxy-2-chloroacetophenone
  • p-Methoxyphenacyl chloride
  • 2-Chloro-4′-methoxyacetophenone
  • α-Chloro-4-methoxyacetophenone
  • 2-Chloro-1-(4′-methoxyphenyl)ethanone
  • Chloromethyl 4-methoxyphenyl ketone
  • NSC 41670
  • α-Chloro-4′-methoxyacetophenone
  • α-Chloro-p-methoxyacetophenone
  • 2-Chloro-1-(4-methoxyphenyl)ethan-1-one

Work with 2-Chloro-1-(4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-1-(4-methoxyphenyl)propan-1-one35999-20-370 % similar 4-Chloro-1-(4-methoxyphenyl)-1-butanone40877-19-866 % similar 1-(4-Methoxyphenyl)-1-propanone121-97-166 % similar 1,2-Bis(4-methoxyphenyl)ethanone120-44-564 % similar 4-Methoxyphenacyl bromide2632-13-564 % similar 2-Amino-4'-methoxyacetophenone40513-43-764 % similar 2-Hydroxy-1-(4-methoxyphenyl)ethanone4136-21-464 % similar 1-(4-Methoxyphenyl)-1-butanone4160-51-462 % 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-(2-Chlorophenyl)propionic acid1643-28-3 Benzyloxyacetyl chloride19810-31-2 3-(4-Chlorophenyl)propanoic acid2019-34-3 3-(3-Chlorophenyl)propanoic acid21640-48-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook