6-Pentadecylsalicylic acid

C22H36O3CAS 16611-84-0348.53 g/mol

Open in Covalent MOL file
OHOOH
Carboxylic acidPhenol

Properties

Molecular formula
C22H36O3
Molar mass
348.53 g/mol
Exact mass
348.2664 Da
Melting point
89 °C
logP
6.72Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
15

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
16611-84-0
SMILES
CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O
InChIKey
ADFWQBGTDJIESE-UHFFFAOYSA-N
InChI
InChI=1S/C22H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h15,17-18,23H,2-14,16H2,1H3,(H,24,25)

Weigh it out

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Names and synonyms

15 names · show all
  • Benzoic acid, 2-hydroxy-6-pentadecyl-
  • Salicylic acid, 6-pentadecyl-
  • 2-Hydroxy-6-pentadecylbenzoic acid
  • 1-Hydroxy-2-carboxy-3-pentadecylbenzene
  • (15:0)-Anacardic acid
  • Cyclogallipharic acid
  • Hydroginkgolic acid
  • 22:0-Anacardic acid
  • NSC 229596
  • NSC 333857
  • NSC 623096
  • 6-Pentadecyl-2-hydroxybenzoic acid
  • Hydrogenated anacardic acid
  • Ginkgolic acid C15:0
  • Anacardic acid

Work with 6-Pentadecylsalicylic acid

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

Ginkgoneolic acid20261-38-5100 % similar Mg1491243583-85-888 % similar Ginkgolic acid II111047-30-486 % similar Ginkgolic acid22910-60-786 % similar Olivetolic acid491-72-564 % similar Nonylphenol25154-52-359 % similar 2-Heptylphenol5284-22-059 % similar 2,6-Dihydroxybenzoic acid303-07-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook