chempirical

Benzenepentadecanoic acid

C21H34O2CAS 40228-93-1318.50 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C21H34O2
Molar mass
318.50 g/mol
Exact mass
318.2559 Da
Melting point
60–61 °C
logP
6.38Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
15

Identifiers

CAS number
40228-93-1
SMILES
O=C(O)CCCCCCCCCCCCCCc1ccccc1
InChIKey
BKXIGVQZLPZYLM-UHFFFAOYSA-N
InChI
InChI=1S/C21H34O2/c22-21(23)19-15-10-8-6-4-2-1-3-5-7-9-12-16-20-17-13-11-14-18-20/h11,13-14,17-18H,1-10,12,15-16,19H2,(H,22,23)

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

Names and synonyms

1 names
  • 15-Phenylpentadecanoic acid

Work with Benzenepentadecanoic 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

8-Phenyloctanoic acid26547-51-3100 % similar Benzenepentanoic acid2270-20-496 % similar 4-Fluorobenzenepentanoic acid24484-22-866 % similar Ζ-Oxobenzeneheptanoic acid7472-43-766 % similar 5-Benzoylvaleric acid4144-62-163 % similar 15-(3,4-Dichlorophenyl)pentadecanoic acid116409-73-561 % similar Pimelic acid111-16-060 % similar Sebacic acid111-20-660 % similar

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

Same formula

Methasterone3381-88-2 3α-Hydroxy-5α-pregnan-20-one516-54-1 Isopregnanolone516-55-2

Elsewhere

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