chempirical

Isopropyl salicylate

C10H12O3CAS 607-85-2180.20 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
Boiling point
238 °C
logP
1.96Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
607-85-2
SMILES
CC(C)OC(=O)c1ccccc1O
InChIKey
YEULQIJMIOWCHB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3

Weigh it out

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

Names and synonyms

4 names
  • Benzoic acid, 2-hydroxy-, 1-methylethyl ester
  • Salicylic acid, isopropyl ester
  • Isopropyl o-hydroxybenzoate
  • 2-Hydroxybenzoic acid isopropyl ester

Work with Isopropyl 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

Diisopropyl phthalate605-45-873 % similar Methyl salicylate119-36-862 % similar Isobutyl salicylate87-19-461 % similar Isoamyl salicylate87-20-757 % similar Ethyl salicylate118-61-657 % similar Isopropyl benzoate939-48-056 % similar Phenyl salicylate118-55-856 % similar Homosalate118-56-954 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2′,5′-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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