chempirical

Phenolphthalein

C20H14O4CAS 77-09-8318.33 g/mol

Open in Covalent MOL file
OOOHHO
EsterLactonePhenol

Properties

Molecular formula
C20H14O4
Molar mass
318.33 g/mol
Exact mass
318.0892 Da
Density
1.277 g/mL (at 32 °C)
Melting point
262.5 °C
logP
3.56Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
77-09-8
SMILES
O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
InChIKey
KJFMBFZCATUALV-UHFFFAOYSA-N
InChI
InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H

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

Names and synonyms

21 names · show all
  • NSC 215214
  • 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-
  • 3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone
  • 3,3-Bis(4-hydroxyphenyl)phthalide
  • Purga
  • Laxogen
  • Spulmako-lax
  • Lilo
  • Trilax
  • Koprol
  • Purgophen
  • Euchessina
  • Phthalimetten
  • Purgen
  • Phthalin
  • 3,3-Bis(p-hydroxyphenyl)phthalide
  • NSC 10464
  • TY 9
  • PX 0520-1
  • 3,3-Bis-(4-hydroxy-phenyl)-3H-isobenzofuran-1-one
  • 3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1-one

Work with Phenolphthalein

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

Fluorescein2321-07-564 % similar Phenolphthalein diphosphate2090-82-661 % similar O-Cresolphthalein596-27-061 % similar Tetrabromophenolphthalein76-62-060 % similar Phenolphthalein monophosphate bis(cyclohexylammonium) salt14815-59-957 % similar Naphtholphthalein596-01-057 % similar 1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-, sodium salt (1:4)68807-90-954 % similar P-Xylenolphthalein50984-88-852 % similar

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

Same formula

[P-Terphenyl]-4,4''-dicarboxylic acid13653-84-4 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-4 4,6-Dibenzoylresorcinol3088-15-1 Diphenyl isophthalate744-45-6 2-[(6-Hydroxy[1,1′-biphenyl]-3-yl)carbonyl]benzoic acid84627-04-3 Diphenyl phthalate84-62-8 1,3-Phenylene dibenzoate94-01-9

Elsewhere

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