chempirical

1-(4-Methoxyphenyl)-1-penten-3-one

C12H14O2CAS 104-27-8190.24 g/mol

Open in Covalent MOL file
OO
AlkeneEtherKetone

Properties

Molecular formula
C12H14O2
Molar mass
190.24 g/mol
Exact mass
190.0994 Da
Melting point
61 °C
logP
2.69Crippen 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
104-27-8
SMILES
CCC(=O)C=Cc1ccc(OC)cc1
InChIKey
SLDQOBRACOQXGE-UHFFFAOYSA-N
InChI
InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • 1-Penten-3-one, 1-(4-methoxyphenyl)-
  • 1-Penten-3-one, 1-(p-methoxyphenyl)-
  • 1-p-Methoxyphenylpent-1-en-3-one
  • α-Methylanisalacetone
  • Ethyl p-methoxystyryl ketone
  • NSC 133448

Work with 1-(4-Methoxyphenyl)-1-penten-3-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

Ethyl methoxycinnamate24393-56-460 % similar 4,4′-Dimethoxychalcone2373-89-959 % similar 4-Methoxycinnamic acid830-09-158 % similar 4-Methoxycinnamate methyl ester832-01-958 % similar 4-Methoxycinnamic acid943-89-558 % similar 4-Methoxychalcone959-33-155 % similar Photoanethole15638-14-953 % similar 4′-Methoxychalcone959-23-951 % similar

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

Same formula

Cinnamyl propionate103-56-0 4-(4′-Hydroxyphenyl)cyclohexanone105640-07-1 4-Vinylbenzyl glycidyl ether113538-80-0 1-Methyl-7-methoxy-2-tetralone1204-23-5 Ethyl 3-(4-methylphenyl)-2-propenoate20511-20-0 4'-(3-Methyl-2-butyenyloxy)benzaldehyde28090-12-2 3-(4-(1-Methylethyl)phenyl)-2-propenoic acid3368-21-6 Benzyl tiglate37526-88-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook