1-(4-Methoxyphenyl)-1-propanone

C₁₀H₁₂O₂CAS 121-97-1164.20 g/mol

Open in Covalent MOL file

Ether Ketone

Properties

Molecular formula: C₁₀H₁₂O₂
Molar mass: 164.20 g/mol
Exact mass: 164.0837 Da
Melting point: 24–26 °C
Boiling point: 125 °C (at 4 Torr)
logP: 2.29Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H228 Flammable solid66.7% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

121-97-1

SMILES

CCC(=O)c1ccc(OC)cc1

InChIKey

ZJVAWPKTWVFKHG-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

11 names

1-Propanone, 1-(4-methoxyphenyl)-
Propiophenone, 4′-methoxy-
Propiophenone, p-methoxy-
4′-Methoxypropiophenone
p-Methoxypropiophenone
Ethyl 4-methoxyphenyl ketone
4-Propanoylanisole
NSC 11834
Ethyl p-methoxyphenyl ketone
1-Methoxy-4-propanoylbenzene
1-Propanoyl-4-methoxybenzene

Work with 1-(4-Methoxyphenyl)-1-propanone

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-(4-Methoxyphenyl)-1-butanone4160-51-469 % similar 1,2-Bis(4-methoxyphenyl)ethanone120-44-566 % similar 2-Chloro-1-(4-methoxyphenyl)ethanone2196-99-866 % similar 4-Methoxyphenacyl bromide2632-13-566 % similar 2-Amino-4'-methoxyacetophenone40513-43-766 % similar 2-Hydroxy-1-(4-methoxyphenyl)ethanone4136-21-466 % similar Butyl 4-methoxyphenyl ketone1671-76-765 % similar 3′-Methoxypropiophenone37951-49-865 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9 2,5-Dimethylbenzeneacetic acid13612-34-5

Elsewhere

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