Ethinylestradiol

C₂₀H₂₄O₂CAS 57-63-6296.41 g/mol

Open in Covalent MOL file

Alcohol Alkyne Phenol

Properties

Molecular formula: C₂₀H₂₄O₂
Molar mass: 296.41 g/mol
Exact mass: 296.1776 Da
Melting point: 141–146 °C
Water solubility: 11.3 mg/L (27 °C)
logP: 3.61Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: R, S, R, S, Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed63% of notifiers
H350 May cause cancer93.5% of notifiers
H360 May damage fertility or the unborn child56.5% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure50.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects57.4% of notifiers

Aggregated from 108 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, P501

Identifiers

CAS number

57-63-6

SMILES

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

InChIKey

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

Weigh it out

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

Names and synonyms

65 names · show all

19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol, (17α)-
19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17-diol
(17α)-19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol
Amenoron
Chee-O-genf
Diogyn E
Dyloform
Esteed
Estigyn
Estinyl
Eston-E
Estorals
Estradiol, 17-ethynyl-
neo-Estrone
Ethidol
Ethinoral
17α-Ethinyl-3,17-dihydroxy-δ1,3,5-estratriene
17-Ethinyl-3,17-estradiol
17α-Ethinylestradiol
17α-Ethinylestra-1,3,5(10)-triene-3,17β-diol
Ethinyloestradiol
17-Ethynyl-3,17-dihydroxy-1,3,5-oestratriene
Ethynylestradiol
17-Ethynylestradiol
17-Ethynylestra-1,3,5(10)-triene-3,17β-diol
17α-Ethynylestra-1,3,5(10)-triene-3,17β-diol
Eticyclin
Eticyclol
Etinestrol
Etinestryl
Etinoestryl
Ginestrene
Inestra
Linoral
Lynoral
Menolyn
Novestrol
Oradiol
Orestralyn
Palonyl
Perovex
Primogyn
Progynon C
Primogyn C
Primogyn M
17-Ethinylestradiol
17α-Ethinyl-17β-estradiol
17α-Ethinyl-1,3,5(10)-estratriene-3,17-diol
17α-Ethynylestradiol
17-Nor-17α-pregna-1,3,5-(10)-trien-20-yne-3,17-diol
Chee-O-gen
Estoral
Etistradiol
Spanestrin
Follicoral
Microfollin
19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17β-diol
Ethynyloestradiol
Prosexol
NSC 10973
Gynofen
17α-Ethynylestra-3,17β-diol
Acetylene estradiol
Novinet
17α-Ethinyl estradiol (EE2)

Work with Ethinylestradiol

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

Mestranol72-33-374 % similar Quinestrol152-43-270 % similar Estradiol50-28-253 % similar Alpha-Estradiol57-91-053 % similar Estra-1,3,5(10),16-tetraen-3-ol1150-90-952 % similar Estrone53-16-752 % similar Estradiol hemihydrate35380-71-351 % similar Estriol50-27-151 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Exemestane107868-30-4 4′-Heptylbiphenyl-4-carboxylic acid58573-94-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook