chempirical

Alibendol

C13H17NO4CAS 26750-81-2251.28 g/mol

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OOHONHHO
AlcoholAlkeneEtherPhenol

Properties

Molecular formula
C13H17NO4
Molar mass
251.28 g/mol
Exact mass
251.1158 Da
Melting point
95 °C
logP
1.43Crippen estimate
Polar surface area
82.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
6

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
26750-81-2
SMILES
C=CCc1cc(OC)c(O)c(C(O)=NCCO)c1
InChIKey
UMJHTFHIQDEGKB-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO4/c1-3-4-9-7-10(13(17)14-5-6-15)12(16)11(8-9)18-2/h3,7-8,15-16H,1,4-6H2,2H3,(H,14,17)

Weigh it out

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

Names and synonyms

11 names
  • Benzamide, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propen-1-yl)-
  • m-Anisamide, 5-allyl-2-hydroxy-N-(2-hydroxyethyl)-
  • Benzamide, 2-hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propenyl)-
  • 2-Hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-(2-propen-1-yl)benzamide
  • 5-Allyl-2-hydroxy-3-methoxy-N-(β-hydroxyethyl)benzamide
  • 2-Hydroxy-3-methoxy-5-allyl-N-(β-hydroxyethyl)benzamide
  • FC 54
  • EB 1856
  • Cebera
  • 2-Hydroxy-N-(2-hydroxyethyl)-3-methoxy-5-prop-2-enylbenzamide
  • H 3774

Work with Alibendol

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

Methoxyeugenol6627-88-959 % similar Methyl 2-hydroxy-3-methoxy-5-(2-propen-1-yl)benzoate85614-43-357 % similar Elemicin487-11-645 % similar Eugenol97-53-043 % similar Methyl eugenol93-15-241 % similar Myristicin607-91-041 % similar O-Eugenol579-60-238 % similar Syringyl alcohol530-56-338 % similar

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

Same formula

5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester105151-39-1 Benzyloxycarbonyl-L-valine1149-26-4 Boc-3-aminomethylbenzoic acid117445-22-4 Dipropyl isocinchomeronate136-45-8 Cbz-D-valine1685-33-2 N-((Phenylmethoxy)carbonyl)norvaline21691-43-0 (S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid21691-44-1 5-(Carbobenzoxyamino)valeric acid23135-50-4

Elsewhere

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