chempirical

15-(3,4-Dichlorophenyl)pentadecanoic acid

C21H32Cl2O2CAS 116409-73-5387.38 g/mol

Open in Covalent MOL file
OOHClCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C21H32Cl2O2
Molar mass
387.38 g/mol
Exact mass
386.1779 Da
logP
7.69Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
15

Identifiers

CAS number
116409-73-5
SMILES
C1=CC(=C(C=C1CCCCCCCCCCCCCCC(=O)O)Cl)Cl
InChIKey
FYSQGGGVGFUGIY-UHFFFAOYSA-N
InChI
InChI=1S/C21H32Cl2O2/c22-19-16-15-18(17-20(19)23)13-11-9-7-5-3-1-2-4-6-8-10-12-14-21(24)25/h15-17H,1-14H2,(H,24,25)

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

Work with 15-(3,4-Dichlorophenyl)pentadecanoic 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

3,4-Dichlorophenylacetic acid5807-30-762 % similar 8-Phenyloctanoic acid26547-51-361 % similar Benzenepentadecanoic acid40228-93-161 % similar Benzenepentanoic acid2270-20-458 % similar 4-Fluorobenzenepentanoic acid24484-22-856 % similar (βR)-β-Amino-3,4-dichlorobenzenebutanoic acid269396-55-652 % similar (βS)-β-Amino-3,4-dichlorobenzenebutanoic acid270063-50-852 % similar 4-Hydroxybenzenebutanoic acid7021-11-651 % similar

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

Elsewhere

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