chempirical

Juglone

C10H6O3CAS 481-39-0174.16 g/mol

Open in Covalent MOL file
OOOH
AlkeneKetonePhenol

Properties

Molecular formula
C10H6O3
Molar mass
174.16 g/mol
Exact mass
174.0317 Da
Melting point
155 °C
logP
1.33Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
481-39-0
SMILES
O=C1C=CC(=O)c2c(O)cccc21
InChIKey
KQPYUDDGWXQXHS-UHFFFAOYSA-N
InChI
InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H

Weigh it out

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Names and synonyms

18 names · show all
  • 1,4-Naphthalenedione, 5-hydroxy-
  • 1,4-Naphthoquinone, 5-hydroxy-
  • 5-Hydroxy-1,4-naphthalenedione
  • C.I. 75500
  • Akhnot
  • C.I. Natural brown 7
  • 5-Hydroxy-1,4-naphthoquinone
  • Juglon
  • Nucin
  • Regianin
  • Walnut extract
  • 5-Hydroxynaphthoquinone
  • 8-Hydroxy-1,4-naphthoquinone
  • 1,4-Dihydro-1,4-dioxo-5-hydroxynaphthalene
  • NSC 153189
  • NSC 34266
  • NSC 622948
  • Natural brown 7

Work with Juglone

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

Naphthazarin475-38-764 % similar Plumbagin481-42-555 % similar Anthrarufin117-12-455 % similar 2′-Hydroxychalcone1214-47-754 % similar 1,8-Dihydroxyanthraquinone117-10-253 % similar 1-Hydroxyanthraquinone129-43-150 % similar 3-Hydroxyphthalic anhydride37418-88-549 % similar 2,6-Dihydroxybenzoic acid303-07-147 % similar

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

Same formula

3-Formylchromone17422-74-1 Phenylmaleic anhydride36122-35-7 Lawsone83-72-7

Elsewhere

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