Phenethyl salicylate

C15H14O3CAS 87-22-9242.27 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C15H14O3
Molar mass
242.27 g/mol
Exact mass
242.0943 Da
Melting point
44 °C
Boiling point
370 °C
logP
2.79Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Environmental Hazard (GHS09)

Aggregated from 1,663 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
87-22-9
SMILES
O=C(OCCc1ccccc1)c1ccccc1O
InChIKey
YNMSDIQQNIRGDP-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O3/c16-14-9-5-4-8-13(14)15(17)18-11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 2-hydroxy-, 2-phenylethyl ester
  • Salicylic acid, phenethyl ester
  • Benzylcarbinyl salicylate
  • 2-Phenylethyl salicylate
  • NSC 72035
  • 2-Hydroxy-benzoic acid phenethyl ester
  • 2-Phenylethyl 2-hydroxybenzoate

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

Similar compounds

Benzyl salicylate118-58-174 % similar Glycol salicylate87-28-569 % similar Propyl salicylate607-90-968 % similar Isoamyl salicylate87-20-767 % similar Butyl salicylate2052-14-464 % similar Amyl salicylate2050-08-063 % similar Ethyl salicylate118-61-662 % similar Isobutyl salicylate87-19-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Mexenone1641-17-4 2-(Benzyloxy)phenylacetic acid22047-88-7 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-1 4'-Benzyloxy-2'-hydroxyacetophenone29682-12-0 1-(5-(Benzyloxy)-2-hydroxyphenyl)ethanone30992-63-3 Fenoprofen31879-05-7 Methyl 4-benzyloxybenzoate32122-11-5 4-Methoxyresveratrol33626-08-3

Elsewhere

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