chempirical

Quinestrol

C25H32O2CAS 152-43-2364.53 g/mol

Open in Covalent MOL file
HOO
AlcoholAlkyneEther

Properties

Molecular formula
C25H32O2
Molar mass
364.53 g/mol
Exact mass
364.2402 Da
Melting point
107.5 °C
logP
5.23Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Stereocentres
R, S, R, S, Sin SMILES atom order

Identifiers

CAS number
152-43-2
SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC5CCCC5)ccc4[C@H]3CC[C@@]21C
InChIKey
PWZUUYSISTUNDW-VAFBSOEGSA-N
InChI
InChI=1S/C25H32O2/c1-3-25(26)15-13-23-22-10-8-17-16-19(27-18-6-4-5-7-18)9-11-20(17)21(22)12-14-24(23,25)2/h1,9,11,16,18,21-23,26H,4-8,10,12-15H2,2H3/t21-,22-,23+,24+,25+/m1/s1

Weigh it out

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

Names and synonyms

17 names · show all
  • 19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-(cyclopentyloxy)-, (17α)-
  • 19-Nor-17α-pregna-1,3,5(10)-trien-20-yn-17-ol, 3-(cyclopentyloxy)-
  • (17α)-3-(Cyclopentyloxy)-19-norpregna-1,3,5(10)-trien-20-yn-17-ol
  • W 3566
  • 3-Cyclopentyloxy-17α-ethynylestra-1,3,5(10)-trien-17β-ol
  • 3-(Cyclopentyloxy)-19-nor-17α-pregna-1,3,5(10)-trien-20-yn-17-ol
  • EECPE
  • 17-Ethynylestradiol cyclopentyl ether
  • 3-Cyclopentyloxy-17α-ethynyl-1,3,5(10)-estratrien-17-ol
  • 17α-Ethynylestradiol 3-cyclopentyl ether
  • Ethynylestradiol-3-cyclopentyl ether
  • Eston
  • Estrovis
  • Estrovister
  • Plestrovis
  • Qui-lea
  • Estrovis 4000

Work with Quinestrol

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

Mestranol72-33-378 % similar Ethinylestradiol57-63-670 % similar Nilestriol39791-20-370 % similar (+)-Estrone 3-methyl ether1624-62-040 % similar Lynestrenol52-76-639 % similar Norethindrone68-22-438 % similar Promestriene39219-28-838 % similar Ethisterone434-03-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook