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Molecule record

phenolphthalein

C20H14O4

318.30 g/mol

2D structure for phenolphthalein

Molecular properties

Formula
C20H14O4
Molar mass
318.30 g·mol−1
Exact mass
318.0892 Da
14
2
4
66.80 Ų
3.6 (PubChem computed XLogP3-AA descriptor)
CAS
77-09-8
PubChem CID
4764

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alcohol
Alkene
Aromatic ring
Ester
Phenol

Physical properties

PropertyValueConditionsSource
Logp3.6PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 3,3-Bis(4-hydroxyphenyl)phthalide
  • 77-09-8
  • Chocolax
  • Colax
  • Correctol
  • Dihydroxyphthalophenone
  • Espotabs
  • Euchessina
Show all 23 synonyms
  • Ex-Lax
  • FemiLax
  • Koprol
  • Laxin
  • Laxogen
  • Medilax
  • Phenolax
  • Phenolphtaleine
  • Phthalimetten
  • Phthalin
  • Purga
  • Purgen
  • Purgophen
  • Spulmako-lax
  • Trilax

Structure identifiers

Canonical SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
Isomeric SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
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
InChIKey
KJFMBFZCATUALV-UHFFFAOYSA-N
PubChem CID
4764

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1740 cm−1C=O ester (simulated)
1180 cm−1C-O ester (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for phenolphthalein; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for phenolphthalein; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record