chempirical

Olivetolic acid

C12H16O4CAS 491-72-5224.26 g/mol

Open in Covalent MOL file
OHOHOOH
Carboxylic acidPhenol

Properties

Molecular formula
C12H16O4
Molar mass
224.26 g/mol
Exact mass
224.1049 Da
Melting point
143 °C
logP
2.53Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5

Identifiers

CAS number
491-72-5
SMILES
CCCCCc1cc(O)cc(O)c1C(=O)O
InChIKey
SXFKFRRXJUJGSS-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)

Weigh it out

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

Names and synonyms

5 names
  • Benzoic acid, 2,4-dihydroxy-6-pentyl-
  • β-Resorcylic acid, 6-pentyl-
  • 2,4-Dihydroxy-6-pentylbenzoic acid
  • Olivetolcarboxylic acid
  • Allazetolcarboxylic acid

Work with Olivetolic 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

Methyl olivetolate58016-28-767 % similar 6-Pentadecylsalicylic acid16611-84-064 % similar Ginkgoneolic acid20261-38-564 % similar Phloroglucinol carboxylic acid83-30-757 % similar Mg1491243583-85-856 % similar Ginkgolic acid ii111047-30-456 % similar Ginkgolic acid22910-60-756 % similar Hexylresorcinol136-77-651 % similar

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

Same formula

2-Hydroxy-4′-(2-hydroxyethoxy)-2-methylpropiophenone106797-53-9 Ethyl 3,4-dimethoxybenzeneacetate18066-68-7 Pogostone23800-56-8 2-Phenyl-1,3-dioxane-5,5-dimethanol2425-41-4 3,4-Diethoxybenzeneacetic acid38464-04-9 1,3-Adamantanedicarboxylic acid39269-10-8 Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate61292-90-8 Ethylvanillin propylene glycol acetal68527-76-4

Elsewhere

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