1-(4-Ethoxyphenyl)ethanone

C10H12O2CAS 1676-63-7164.20 g/mol

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EtherKetone

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Melting point
37–38 °C
Boiling point
145.4–145.8 °C (at 13 Torr)
logP
2.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1676-63-7
SMILES
CCOc1ccc(C(C)=O)cc1
InChIKey
YJFNFQHMQJCPRG-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-7H,3H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Ethanone, 1-(4-ethoxyphenyl)-
  • Acetophenone, 4′-ethoxy-
  • p-Ethoxyacetophenone
  • 4′-Ethoxyacetophenone
  • NSC 403850
  • NSC 406258
  • 40959-1A
  • 1-(4-Ethoxyphenyl)ethan-1-one

Work with 1-(4-Ethoxyphenyl)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

1-(4-Butoxyphenyl)ethanone5736-89-070 % similar p-Ethoxybenzamide55836-71-063 % similar 4-Acetylphenyl ether2615-11-462 % similar 4-Ethoxybenzoyl chloride16331-46-761 % similar Ethyl 4-ethoxybenzoate23676-09-761 % similar Ethyl 4-acetylbenzoate38430-55-661 % similar 4-Ethoxybenzoic acid619-86-361 % similar 4-Acetylphenoxyacetic acid1878-81-560 % 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 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook