chempirical

Aurin

C19H14O3CAS 603-45-2290.32 g/mol

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OHOOH
AlkeneKetonePhenol

Properties

Molecular formula
C19H14O3
Molar mass
290.32 g/mol
Exact mass
290.0943 Da
Melting point
309 °C (decomposes)
logP
3.59Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
603-45-2
SMILES
O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C=C1
InChIKey
FYEHYMARPSSOBO-UHFFFAOYSA-N
InChI
InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H

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Names and synonyms

16 names · show all
  • 2,5-Cyclohexadien-1-one, 4-[bis(4-hydroxyphenyl)methylene]-
  • 2,5-Cyclohexadien-1-one, 4-[bis(p-hydroxyphenyl)methylene]-
  • 4-[Bis(4-hydroxyphenyl)methylene]-2,5-cyclohexadien-1-one
  • C.I. 43800
  • Aurine
  • Corallin
  • Corallin spirit soluble
  • 4-(p,p′-Dihydroxybenzhydrylidene)-2,5-cyclohexadien-1-one
  • p-Rosolic acid
  • Spirit aurine
  • Aurin 555
  • 4,4′-Dihydroxyfuchsone
  • Pararosolic acid
  • Rosalic acid
  • NSC 7805
  • 4-[Bis(p-hydroxyphenyl)methylene]-2,5-cyclohexadien-1-one

Work with Aurin

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

Quinhydrone106-34-369 % similar 1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one3654-49-753 % similar Tetrakis(4-hydroxyphenyl)ethylene119301-59-652 % similar Indophenol500-85-651 % similar 4,4'-Dihydroxybenzophenone611-99-447 % similar 1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene14868-03-244 % similar 4-Hydroxybenzamide619-57-844 % similar 4-Hydroxybenzoic acid99-96-744 % similar

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

Elsewhere

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