Paradol

C₁₇H₂₆O₃CAS 27113-22-0278.39 g/mol

Open in Covalent MOL file

Ether Ketone Phenol

Properties

Molecular formula: C₁₇H₂₆O₃
Molar mass: 278.39 g/mol
Exact mass: 278.1882 Da
Density: 1.069 g/mL (at 20 °C)
Melting point: 31–32 °C
logP: 4.26Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 10

Hazards

Warning

H317 May cause an allergic skin reaction22.6% of notifiers

Aggregated from 115 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

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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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