chempirical

4-Methoxycinnamonitrile

C10H9NOCAS 28446-68-6159.19 g/mol

Open in Covalent MOL file
ON
AlkeneEtherNitrile

Properties

Molecular formula
C10H9NO
Molar mass
159.19 g/mol
Exact mass
159.0684 Da
Melting point
61–62 °C
logP
2.23Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
28446-68-6
SMILES
COc1ccc(C=CC#N)cc1
InChIKey
CNBCNHHPIBKYBO-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7H,1H3

Weigh it out

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

Names and synonyms

8 names
  • 2-Propenenitrile, 3-(4-methoxyphenyl)-
  • Cinnamonitrile, p-methoxy-
  • 3-(4-Methoxyphenyl)-2-propenenitrile
  • 3-(p-Anisyl)acrylonitrile
  • p-Methoxycinnamonitrile
  • β-(4-Methoxyphenyl)acrylonitrile
  • NSC 379284
  • 3-(4-Methoxyphenyl)acrylonitrile

Work with 4-Methoxycinnamonitrile

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

Photoanethole15638-14-963 % similar 4-Methoxystilbene1142-15-060 % similar Anethole104-46-157 % similar Anethole4180-23-857 % similar Cinnamonitrile1885-38-755 % similar Cinnamonitrile4360-47-855 % similar Resveratrol trimethyl ether22255-22-753 % similar 4-Fluorocinnamonitrile24654-48-653 % similar

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

Same formula

6-Quinolinemethanol100516-88-9 8-Amino-2-naphthol118-46-7 2-Quinolinemethanol1780-17-2 3-Methylquinoline N-oxide1873-55-8 1-Methylindole-3-carboxaldehyde19012-03-4 Indole-3-acetaldehyde2591-98-2 1-Isoquinolinemethanol27311-63-3 1-Amino-2-naphthol2834-92-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook