chempirical

Phenylfluorone

C19H12O5CAS 975-17-7320.30 g/mol

Open in Covalent MOL file
OOOHOHHO
Phenol

Properties

Molecular formula
C19H12O5
Molar mass
320.30 g/mol
Exact mass
320.0685 Da
Melting point
204 °C
logP
3.68Crippen estimate
Polar surface area
90.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Identifiers

CAS number
975-17-7
SMILES
O=c1cc2oc3cc(O)c(O)cc3c(-c3ccccc3)c-2cc1O
InChIKey
YDCFOUBAMGLLKA-UHFFFAOYSA-N
InChI
InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H

Weigh it out

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

Names and synonyms

11 names
  • 3H-Xanthen-3-one, 2,6,7-trihydroxy-9-phenyl-
  • 2,6,7-Trihydroxy-9-phenyl-3H-xanthen-3-one
  • Fluorone, phenyl-
  • 9-Phenyl-2,3,7-trihydroxy-6-fluorone
  • Fluorone black
  • 2,3,7-Trihydroxy-9-phenyl-6-fluorone
  • 9-Phenyl-2,3,7-trihydroxy-6-flurone
  • 2,3,7-Trihydroxy-9-phenylxanthen-6-one
  • NSC 2608
  • NSC 66463
  • 2,6,7-Trihydroxy-9-phenylxanthen-3-one

Work with Phenylfluorone

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′-Dihydroxyflavone4143-64-050 % similar Baicalein491-67-849 % similar 5-Hydroxyflavone491-78-148 % similar 7-Hydroxyflavone6665-86-748 % similar 7,8-Dihydroxyflavone38183-03-846 % similar Chrysin480-40-046 % similar 6-Hydroxyflavone6665-83-445 % similar Oroxylin A480-11-543 % similar

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

Elsewhere

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