chempirical

[6]-Shogaol

C17H24O3CAS 555-66-8276.38 g/mol

Open in Covalent MOL file
OOHO
AlkeneEtherKetonePhenol

Properties

Molecular formula
C17H24O3
Molar mass
276.38 g/mol
Exact mass
276.1725 Da
Density
1.0448 g/mL (at 25 °C)
logP
4.04Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
9

Identifiers

CAS number
555-66-8
SMILES
CCCCCC=CC(=O)CCc1ccc(O)c(OC)c1
InChIKey
OQWKEEOHDMUXEO-UHFFFAOYSA-N
InChI
InChI=1S/C17H24O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h7-8,10,12-13,19H,3-6,9,11H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 4-Decen-3-one, 1-(4-hydroxy-3-methoxyphenyl)-
  • 1-(4-Hydroxy-3-methoxyphenyl)-4-decen-3-one
  • Shogaol

Work with [6]-Shogaol

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

[8]-Shogaol36700-45-598 % similar [10]-Shogaol36752-54-298 % similar Paradol27113-22-065 % similar Gingerol23513-14-657 % similar [8]-Gingerol23513-08-856 % similar [10]-Gingerol23513-15-756 % similar Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate61292-90-856 % similar Dihydrocurcumin76474-56-156 % similar

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

Same formula

Terallethrin15589-31-8 Cyclandelate456-59-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook