Ethinylestradiol

CAS: 57-63-6 · C20H24O2

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 57-63-6
Molecular Formula: C20H24O2
Molecular Mass: 296.41 g/mol

Identifiers

CAS Registry Number

57-63-6

SMILES

C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C

InChI Key

BFPYWIDHMRZLRN-SLHNCBLASA-N

InChI

InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1

Names and Synonyms

Ethinylestradiol Synonym
19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17α)- Synonym
19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17-diol Synonym
(17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol Synonym
Amenoron Synonym
Chee-O-Genf Synonym
Diogyn E Synonym
Dyloform Synonym
Esteed Synonym
Estigyn Synonym
Estinyl Synonym
Eston-E Synonym
Estorals Synonym
Estradiol, 17-ethynyl- Synonym
neo-Estrone Synonym
Ethidol Synonym
Ethinoral Synonym
17α-Ethinyl-3,17-dihydroxy-Δ1,3,5-estratriene Synonym
Ethinylestradiol Synonym
17-Ethinyl-3,17-estradiol Synonym
17α-Ethinylestradiol Synonym
17α-Ethinylestra-1,3,5(10)-triene-3,17β-diol Synonym
Ethinyloestradiol Synonym
17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene Synonym
Ethynylestradiol Synonym
17-Ethynylestradiol Synonym
17-Ethynylestra-1,3,5(10)-triene-3,17β-diol Synonym
17α-Ethynylestra-1,3,5(10)-triene-3,17β-diol Synonym
Eticyclin Synonym
Eticyclol Synonym
Etinestrol Synonym
Etinestryl Synonym
Etinoestryl Synonym
Ginestrene Synonym
Inestra Synonym
Linoral Synonym
Lynoral Synonym
Menolyn Synonym
Novestrol Synonym
Oradiol Synonym
Orestralyn Synonym
Palonyl Synonym
Perovex Synonym
Primogyn Synonym
Progynon C Synonym
Primogyn C Synonym
Primogyn M Synonym
17-Ethinylestradiol Synonym
17α-Ethinyl-17β-estradiol Synonym
17α-Ethinyl-1,3,5(10)-estratriene-3,17-diol Synonym
17α-Ethynylestradiol Synonym
17-Nor-17α-pregna-1,3,5-(10)-trien-20-yne-3,17-diol Synonym
Chee-O-Gen Synonym
Estoral Synonym
Etistradiol Synonym
Spanestrin Synonym
Follicoral Synonym
Microfollin Synonym
19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17β-diol Synonym
Ethynyloestradiol Synonym
Prosexol Synonym
NSC 10973 Synonym
Gynofen Synonym
17α-Ethynylestra-3,17β-diol Synonym
Acetylene estradiol Synonym
Novinet Synonym
17α-Ethinyl estradiol (EE2) Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	296.41 g/mol	CAS Common Chemistry
	296.4100000000001 g/mol	RDKit
Canonical SMILES	C#CC1(O)CCC2C3CCC4=CC(O)=CC=C4C3CCC21C	CAS Common Chemistry
InChI	InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1	CAS Common Chemistry
InChI Key	InChIKey=BFPYWIDHMRZLRN-SLHNCBLASA-N	CAS Common Chemistry
Melting Point	141-146 °C	CAS Common Chemistry
Name	Ethinylestradiol	CAS Common Chemistry
Heavy Atom Count	22	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 Å²	RDKit
LogP	3.6126000000000023	RDKit
	3.6126	RDKit
Molar Refractivity	86.50660000000005 cm³/mol	RDKit
Ring Count	4	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.6	RDKit
Exact Mass	296.177630008 g/mol	RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 296.41 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)

Related molecules

Other compounds with formula C20H24O2.

Exemestane CAS 107868-30-4 [1,1′-Biphenyl]-4-carboxylic acid, 4′-heptyl- CAS 58573-94-7