chempirical

γ-Oxo-8-fluoranthenebutanoic acid

C20H14O3CAS 519-95-9302.33 g/mol

Open in Covalent MOL file
OHOO
Carboxylic acidKetone

Properties

Molecular formula
C20H14O3
Molar mass
302.33 g/mol
Exact mass
302.0943 Da
Melting point
195 °C
logP
4.53Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
519-95-9
SMILES
O=C(O)CCC(=O)c1ccc2c(c1)-c1cccc3cccc-2c13
InChIKey
QOBAOSCOLAGPKI-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O3/c21-18(9-10-19(22)23)13-7-8-14-15-5-1-3-12-4-2-6-16(20(12)15)17(14)11-13/h1-8,11H,9-10H2,(H,22,23)

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Names and synonyms

18 names · show all
  • 8-Fluoranthenebutanoic acid, γ-oxo-
  • 8-Fluoranthenebutyric acid, γ-oxo-
  • SC 1674
  • Anchol
  • β-(8-Fluoranthoyl)propionic acid
  • β-(8-Fluoranthyloyl)propionic acid
  • Fluorantyrone
  • Gamma-Fluoranthen-8-yl-gamma-oxybutyric acid
  • γ-Oxo-8-fluoranthenebutyric acid
  • Zanchol
  • Florantyrone
  • Florantyron
  • Bilyn
  • Cistoplex
  • Fluochol
  • Idrobil
  • Idroepar
  • Kanchol

Work with γ-Oxo-8-fluoranthenebutanoic 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-Chlorobenzoyl)propionic acid3984-34-751 % similar Fenbufen36330-85-550 % similar 3-(4-Fluorobenzoyl)propionic acid366-77-848 % similar 4-(4-Methylphenyl)-4-oxobutanoic acid4619-20-948 % similar 4-Bromo-γ-oxobenzenebutanoic acid6340-79-048 % similar 4-Methoxy-γ-oxobenzenebutanoic acid3153-44-445 % similar 3-Fluoro-4-methoxy-γ-oxobenzenebutanoic acid347-63-744 % similar δ-Oxobenzenepentanoic acid1501-05-942 % similar

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

Same formula

γ-Oxo-1-pyrenebutyric acid7499-60-7

Elsewhere

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