chempirical

Paradol

C17H26O3CAS 27113-22-0278.39 g/mol

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OOHO
EtherKetonePhenol

Properties

Molecular formula
C17H26O3
Molar mass
278.39 g/mol
Exact mass
278.1882 Da
Density
1.069 g/mL (at 20 °C)
logP
4.26Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
10

Identifiers

CAS number
27113-22-0
SMILES
CCCCCCCC(=O)CCc1ccc(O)c(OC)c1
InChIKey
CZNLTCTYLMYLHL-UHFFFAOYSA-N
InChI
InChI=1S/C17H26O3/c1-3-4-5-6-7-8-15(18)11-9-14-10-12-16(19)17(13-14)20-2/h10,12-13,19H,3-9,11H2,1-2H3

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

Names and synonyms

5 names
  • 3-Decanone, 1-(4-hydroxy-3-methoxyphenyl)-
  • 1-(4-Hydroxy-3-methoxyphenyl)-3-decanone
  • [6]-Paradol
  • Heptyl 4-hydroxy-3-methoxyphenethyl ketone
  • [6]-Gingerone

Work with Paradol

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

Tetrahydrocurcumin36062-04-175 % similar [8]-Gingerol23513-08-874 % similar [10]-Gingerol23513-15-774 % similar Gingerol23513-14-672 % similar [8]-Shogaol36700-45-567 % similar [10]-Shogaol36752-54-267 % similar [6]-Shogaol555-66-865 % similar 4-Propylguaiacol2785-87-761 % similar

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

Same formula

3-(3′,5′-Di-tert-butyl-4′-hydroxyphenyl)propionic acid20170-32-5 4-(Decyloxy)benzoic acid5519-23-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia