chempirical

8-Phenyloctanoic acid

C14H20O2CAS 26547-51-3220.31 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C14H20O2
Molar mass
220.31 g/mol
Exact mass
220.1463 Da
Melting point
24–25 °C
Boiling point
204–206 °C (at 11 Torr)
logP
3.65Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
8

Identifiers

CAS number
26547-51-3
SMILES
O=C(O)CCCCCCCc1ccccc1
InChIKey
VZECIAZMSHBQOC-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O2/c15-14(16)12-8-3-1-2-5-9-13-10-6-4-7-11-13/h4,6-7,10-11H,1-3,5,8-9,12H2,(H,15,16)

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

Names and synonyms

4 names
  • Benzeneoctanoic acid
  • Octanoic acid, 8-phenyl-
  • ω-Phenyloctanoic acid
  • 8-Phenylcaprylic acid

Work with 8-Phenyloctanoic 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

Benzenepentadecanoic acid40228-93-1100 % 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

Dimethylbenzylcarbinyl butyrate10094-34-5 2,5-Di-tert-butyl-1,4-benzoquinone2460-77-7 2-Methyl-2-adamantyl acrylate249562-06-9 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate2611-00-9 4-(Heptyloxy)benzaldehyde27893-41-0 3,5-Di-tert-butyl-1,2-benzoquinone3383-21-9 Dicyclopentanyl methacrylate34759-34-7 4-Heptylbenzoic acid38350-87-7

Elsewhere

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