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Chemistry

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Also known as: Dimestrol, Synthila, 130-79-0, Depot-oestromon, Depot-oestromenine, Stilbestrol dimethyl ether

Molecular Formula

C₂₀H₂₄O₂

Molecular Weight

296.4 g/mol

InChI Key

VQOAQMIKPYNCMV-FMQUCBEESA-N

FDA UNII

6H0MA01FTS

1 2D Structure

Dimestrol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methoxy-4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene

2.1.2 InChI

InChI=1S/C20H24O2/c1-5-19(15-7-11-17(21-3)12-8-15)20(6-2)16-9-13-18(22-4)14-10-16/h7-14H,5-6H2,1-4H3/b20-19+

2.1.3 InChI Key

VQOAQMIKPYNCMV-FMQUCBEESA-N

2.1.4 Canonical SMILES

CCC(=C(CC)C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC

2.1.5 Isomeric SMILES

CC/C(=C(/CC)\C1=CC=C(C=C1)OC)/C2=CC=C(C=C2)OC

2.2 Other Identifiers

2.2.1 UNII

6H0MA01FTS

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Des Dimethyl Ether

2. Dimestrol

2.3.2 Depositor-Supplied Synonyms

1. Dimestrol

2. Synthila

3. 130-79-0

4. Depot-oestromon

5. Depot-oestromenine

6. Stilbestrol Dimethyl Ether

7. 7773-34-4

8. Chebi:34701

9. Diethylstilbestroldimethylether

10. 3,4-bis(p-methoxyphenyl)-3-hexene

11. 6h0ma01fts

12. Chembl113650

13. 3,4-dianisyl-3-hexene

14. 1-methoxy-4-[(e)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene

15. Benzene, 1,1'-(1,2-diethyl-1,2-ethenediyl)bis(4-methoxy-

16. Benzene, 1,1'-(1,2-diethyl-1,2-ethenediyl)bis[4-methoxy-

17. Alpha,alpha'-diethyl-4,4'-dimethoxystilbene

18. Dimoestrol

19. Nsc 8137

20. Einecs 231-872-2

21. Nsc 41198

22. 3,4-bis(4-methoxyphenyl)hex-3-ene

23. Unii-6h0ma01fts

24. 3-hexene, 3,4-bis(p-methoxyphenyl)-

25. Brn 2057686

26. 3-hexene, 3,4-bis(4-methoxyphenyl)-

27. Depoestron

28. (e)-1,1'-(1,2-diethyl-1,2-ethenediyl)bis(4-methoxybenzene)

29. (e)-1,1'-(1,2-diethyl-1,2-ethenediyl)bis[4-methoxybenzene]

30. Estrastilbene D

31. 4,4'-dimethoxy-alpha,beta-diethylstilbene

32. Depot-cyren

33. 1,1'-[(1e)-1,2-diethyl-1,2-ethenediyl]bis[4-methoxybenzene]

34. Depot-oestrromon

35. Depot-oestromenin

36. 1,1'-((1e)-1,2-diethyl-1,2-ethenediyl)bis(4-methoxybenzene)

37. Oestromenine-depot

38. Estromenin-deposito

39. Oestrastilben (d)

40. Trans-alpha,alpha'-diethyl-4,4'-dimethoxystilbene

41. Einecs 204-994-9

42. Stilbene, Alpha,alpha'-diethyl-4,4'-dimethoxy-

43. Dimestrol [mi]

44. (e)-1,1'-(1,2-diethyl-1,2-ethene-diyl)bis(4-methoxybenzene)

45. (e)-4,4'-(1,2-diethylethylene)dianisole

46. Dimethoxydiethylstilbestrol

47. Dimethoxy-diethylstilbestrol

48. Dimestrol [who-dd]

49. 3,4-di-p-anisyl-3-hexene

50. Schembl554921

51. Dtxsid60860026

52. Stilbestrol Dimethyl Ether, Trans

53. Trans-3,4-di-p-anisyl-3-hexene

54. 1-methoxy-4-[(3e)-4-(4-methoxyphenyl)hex-3-en-3-yl]benzene

55. Zinc1481780

56. Bdbm50130717

57. 3,4-bis(4-methoxyphenyl)-3-hexene

58. Diethylstilbestrol Dimethyl Ether, Trans

59. 3,4-bis-(4-methoxy-phenyl)-trans-hex-3-ene

60. (e)-3,4-bis(p-methoxyphenyl)-3-hexene

61. Q27116231

62. 1,1'-(3e)-hex-3-ene-3,4-diylbis(4-methoxybenzene)

63. (e)-.alpha.,.alpha.'-diethyl-4,4'-dimethoxystilbene

64. Stilbene, .alpha.,.alpha.'-diethyl-4,4'-dimethoxy-, (e)-

65. Benzene, 1,1'-(1,2-diethyl-1,2-ethenediyl)bis[4-methoxy-, (e)-

66. 1-[(1e)-1-ethyl-2-(4-methoxyphenyl)-1-butenyl]-4-methoxybenzene #

2.4 Create Date

2005-03-28

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄O₂
Molecular Weight	296.4 g/mol
XLogP3	5.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	296.177630004 g/mol
Monoisotopic Mass	296.177630004 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	311
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1