chempirical

Ginkgoneolic acid

C20H32O3CAS 20261-38-5320.47 g/mol

Open in Covalent MOL file
OHOOH
Carboxylic acidPhenol

Properties

Molecular formula
C20H32O3
Molar mass
320.47 g/mol
Exact mass
320.2351 Da
logP
5.94Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
13

Identifiers

CAS number
20261-38-5
SMILES
CCCCCCCCCCCCCc1cccc(O)c1C(=O)O
InChIKey
VEPUCZUJLKAVNM-UHFFFAOYSA-N
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)

Weigh it out

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

Names and synonyms

6 names
  • Benzoic acid, 2-hydroxy-6-tridecyl-
  • Salicylic acid, 6-tridecyl-
  • 2-Hydroxy-6-tridecylbenzoic acid
  • 6-n-Tridecylsalicylic acid
  • 6-Tridecylsalicylic acid
  • Ginkgolic acid C13:0

Work with Ginkgoneolic 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

6-Pentadecylsalicylic acid16611-84-0100 % similar Mg1491243583-85-888 % similar Ginkgolic acid ii111047-30-486 % similar Ginkgolic acid22910-60-786 % similar Olivetolic acid491-72-564 % similar 2,6-Dihydroxybenzoic acid303-07-154 % similar 4-Hexylbenzoic acid21643-38-951 % similar 4-Octylbenzoic acid3575-31-351 % similar

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

Same formula

2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butanoic acid13403-01-5 4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]butanoic acid50772-35-5

Elsewhere

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