chempirical

N-Octyl salicylate

C15H22O3CAS 6969-49-9250.34 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C15H22O3
Molar mass
250.34 g/mol
Exact mass
250.1569 Da
logP
3.91Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Identifiers

CAS number
6969-49-9
SMILES
CCCCCCCCOC(=O)c1ccccc1O
InChIKey
WCJLCOAEJIHPCW-UHFFFAOYSA-N
InChI
InChI=1S/C15H22O3/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11,16H,2-6,9,12H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 2-hydroxy-, octyl ester
  • Salicylic acid, octyl ester
  • Octyl salicylate
  • NSC 28914
  • NSC 68365
  • Octyl 2-hydroxybenzoate

Work with N-Octyl salicylate

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

Hexyl salicylate6259-76-3100 % similar Amyl salicylate2050-08-097 % similar Butyl salicylate2052-14-489 % similar Propyl salicylate607-90-978 % similar Di-N-octyl phthalate117-84-078 % similar Diheptyl phthalate3648-21-378 % similar Dihexyl phthalate84-75-378 % similar Dinonyl 1,2-benzenedicarboxylate84-76-478 % similar

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

Same formula

2-Ethylhexyl salicylate118-60-5 Octyl P-hydroxybenzoate1219-38-1 3,5-Di-tert-butyl-4-hydroxybenzoic acid1421-49-4 3,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acid19715-19-6 Nardosinone23720-80-1 Octyloxybenzoic acid2493-84-7 Gemfibrozil25812-30-0 2-Ethylhexyl 4-hydroxybenzoate5153-25-3

Elsewhere

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