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Molecule record

estradiol

C18H24O2

272.40 g/mol

2D structure for estradiol

Molecular properties

Formula
C18H24O2
Molar mass
272.40 g·mol−1
Exact mass
272.1776 Da
7
2
2
40.50 Ų
4 (PubChem computed XLogP3-AA descriptor)
CAS
50-28-2
PubChem CID
5757

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
Phenol

Physical properties

PropertyValueConditionsSource
Logp4PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 17beta-Estradiol
  • 50-28-2
  • Aerodiol
  • Aquadiol
  • Climara
  • Dihydrofolliculin
  • Dihydrotheelin
  • Dihydroxyestrin
Show all 23 synonyms
  • Dimenformon
  • Diogyn
  • Diogynets
  • Divigel
  • Estrace
  • Estraderm
  • Estraldine
  • Estrogel
  • Femestral
  • Gynergon
  • Gynoestryl
  • Oestradiol
  • Vagifem
  • Vivelle
  • beta-Estradiol

Structure identifiers

Canonical SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKey
VOXZDWNPVJITMN-ZBRFXRBCSA-N
PubChem CID
5757

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)
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 estradiol; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for estradiol; 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