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Molecule
Estradiol
CAS: 50-28-2 · C18H24O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 50-28-2
- Molecular Formula
- C18H24O2
- Molecular Mass
- 272.39 g/mol
Identifiers
CAS Registry Number
50-28-2
SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
InChI Key
VOXZDWNPVJITMN-ZBRFXRBCSA-N
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
Names and Synonyms
- Estradiol Common Name
- Estra-1,3,5(10)-triene-3,17-diol (17β)- Synonym
- Estradiol Synonym
- (17β)-Estra-1,3,5(10)-triene-3,17-diol Synonym
- Altrad Synonym
- Bardiol Synonym
- Beta-estradiol Synonym
- Dihydrofollicular hormone Synonym
- Dihydrofolliculin Synonym
- Dihydromenformon Synonym
- Dihydrotheelin Synonym
- Dihydroxyestrin Synonym
- Diogyn Synonym
- Diogynets Synonym
- 3,17-Epidihydroxyestratriene Synonym
- Estraldine Synonym
- Dimenformon Synonym
- Estrovite Synonym
- Femestral Synonym
- Femogen Synonym
- Gynergon Synonym
- Gynoestryl Synonym
- Lamdiol Synonym
- Macrodiol Synonym
- Nordicol Synonym
- Oestergon Synonym
- Oestradiol Synonym
- Oestroglandol Synonym
- Ovahormon Synonym
- Ovasterol Synonym
- Ovastevol Synonym
- Ovocyclin Synonym
- Primofol Synonym
- Profoliol Synonym
- Progynon Synonym
- Progynon DH Synonym
- Syndiol Synonym
- Theelin, dihydro- Synonym
- Estra-1,3,5(10)-triene-3,17β-diol Synonym
- Ginosedol Synonym
- Estra-1,3,5(10)-triene-3,17-diol, (17β)- Synonym
- β-Estradiol Synonym
- (+)-3,17β-Estradiol Synonym
- Oestra-1,3,5(10)-triene-3,17β-diol Synonym
- 3,17β-Dihydroxyestra-1,3,5(10)-triene Synonym
- 3,17β-Estradiol Synonym
- Perlatanol Synonym
- Aquadiol Synonym
- Follicyclin Synonym
- Corpagen Synonym
- 17β-Oestradiol Synonym
- Estradiol-17β Synonym
- Estrace Synonym
- Compudose Synonym
- Estraderm Synonym
- Compudose 365 Synonym
- E 2 Synonym
- Compudose 200 Synonym
- Estrogel Synonym
- Estraderm TTS Synonym
- Oestrogel Synonym
- Menorest Synonym
- Systen Synonym
- Evorel Synonym
- Climaderm Synonym
- 13β-Methyl-1,3,5(10)-gonatriene-3,17β-ol Synonym
- Estraderm TTS 50 Synonym
- Epiestriol 50 Synonym
- Estroclim 50 Synonym
- Dermestril Synonym
- Climara Synonym
- Oesclim Synonym
- 17β-Estradiol Synonym
- Encore Synonym
- Aerodiol Synonym
- Divigel Synonym
- Sandrena 1 Synonym
- Vagifem Synonym
- Gelestra Synonym
- Estraderm TTS 100 Synonym
- Zumenon Synonym
- Vivelle Synonym
- NSC 9895 Synonym
- Profoliol B Synonym
- Ovocylin Synonym
- Estring Vaginal Ring Synonym
- Estroclim Synonym
- Estradot Synonym
- Femanest Synonym
- Estrogel HBF Synonym
- Absorlent Matrix Synonym
- FemSeven Synonym
- Estrapatch Synonym
- Estraderm MX Synonym
- Alora Synonym
- Estasorb Synonym
- Estredox Synonym
- Estreva Synonym
- Bio-E Gel Synonym
- Benzogynestry Synonym
- Estropause Synonym
- Menostar Synonym
- Evamist Synonym
- Zesteem Synonym
- Compudose 400 Synonym
- Compudose 100 Synonym
- Vivelle-Dot Synonym
- Sprediol Synonym
- Elestrim Synonym
- Estring Synonym
- Fempatch Synonym
- Gynodiol Synonym
- Innofem Synonym
- Destradiol Synonym
- 17β-Estradiol E2 Synonym
- TX 004HR Synonym
- IMVEXXY Synonym
- (8R,9S,13S,14S,17S)-13-Methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 272.39 g/mol | CAS Common Chemistry |
| 272.3879999999999 g/mol | RDKit | |
| 272.388 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Estradiol | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C2C(=C1)CCC3C2CCC4(C)C(O)CCC34 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N | CAS Common Chemistry |
| Melting Point | 173-179 °C | CAS Common Chemistry |
| Name | Estradiol | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 3.6092000000000026 | RDKit |
| 3.6092 | RDKit | |
| Molar Refractivity | 78.73060000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 272.177630008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 272.39 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C18H24O2.
