chempirical

2-Methoxycinnamaldehyde

C10H10O2CAS 1504-74-1162.19 g/mol

Open in Covalent MOL file
OO
AldehydeAlkeneEther

Properties

Molecular formula
C10H10O2
Molar mass
162.19 g/mol
Exact mass
162.0681 Da
Melting point
44–45 °C
Boiling point
165–167 °C (at 13 Torr)
logP
1.91Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
1504-74-1
SMILES
COc1ccccc1C=CC=O
InChIKey
KKVZAVRSVHUSPL-UHFFFAOYSA-N
InChI
InChI=1S/C10H10O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-8H,1H3

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Names and synonyms

8 names
  • 2-Propenal, 3-(2-methoxyphenyl)-
  • Cinnamaldehyde, o-methoxy-
  • 3-(2-Methoxyphenyl)-2-propenal
  • o-Methoxycinnamaldehyde
  • o-Methoxycinnamic aldehyde
  • NSC 114599
  • 3-(2-Methoxyphenyl)propenal
  • 3-(2-Methoxyphenyl)acrylaldehyde

Work with 2-Methoxycinnamaldehyde

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

2-Methoxybenzaldehyde135-02-461 % similar 4,4′-Bis[2-(2-methoxyphenyl)ethenyl]-1,1′-biphenyl40470-68-654 % similar trans-2-Methoxycinnamic acid1011-54-753 % similar 2-Methoxy-β-nitrostyrene3316-24-353 % similar 2-Methoxycinnamic acid6099-03-253 % similar Coniferyl aldehyde458-36-648 % similar 2,3-Dimethoxybenzaldehyde86-51-147 % similar 1,2-Dimethoxybenzene91-16-746 % similar

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

Same formula

γ-Phenyl-γ-butyrolactone1008-76-0 1,4-Diacetylbenzene1009-61-6 Methyl cinnamate103-26-4 Cinnamyl formate104-65-4 α-Methylcinnamic acid1199-77-5 Isosafrole120-58-1 6-Methoxy-1-indanone13623-25-1 4-Methylcinnamic acid1866-39-3

Elsewhere

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