chempirical

Homosalate

C16H22O3CAS 118-56-9262.35 g/mol

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OOOH
EsterPhenol

Properties

Molecular formula
C16H22O3
Molar mass
262.35 g/mol
Exact mass
262.1569 Da
Density
1.045–1.048 g/mL (at 25 °C)
Boiling point
163 °C
logP
3.76Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
118-56-9
SMILES
CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1
InChIKey
WSSJONWNBBTCMG-UHFFFAOYSA-N
InChI
InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3

Weigh it out

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

Names and synonyms

19 names · show all
  • Benzoic acid, 2-hydroxy-, 3,3,5-trimethylcyclohexyl ester
  • Salicylic acid, 3,3,5-trimethylcyclohexyl ester
  • Cyclohexanol, 3,3,5-trimethyl-, salicylate
  • Heliophan
  • 3,3,5-Trimethylcyclohexyl salicylate
  • Heliopan
  • Homomenthyl salicylate
  • Filtrosol A
  • Kemester
  • Neo heliopan
  • Eusolex HMS
  • Kemester HMS
  • Neo heliopan HMS
  • Heliopan HMS
  • Uniderm homsal
  • NSC 164918
  • Parsol HMS
  • 3,3,5-Trimethylcyclohexyl 2-hydroxybenzoate
  • Escalol HMS

Work with Homosalate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclandelate456-59-756 % similar Isopropyl salicylate607-85-254 % similar Isobutyl salicylate87-19-448 % similar Isoamyl salicylate87-20-746 % similar Ethyl salicylate118-61-645 % similar Methyl salicylate119-36-845 % similar Amyl salicylate2050-08-043 % similar Propyl salicylate607-90-943 % similar

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

Elsewhere

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