Also known as: Butestrol, Dl-butestrol, 5776-76-1, 9s69qhq4du, Racemic-butestrol, Racemic-butoestrol

Molecular Formula

C₁₆H₁₈O₂

Molecular Weight

242.31 g/mol

InChI Key

GDUYFVYTXYOMSJ-VXGBXAGGSA-N

FDA UNII

9S69QHQ4DU

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(2R,3R)-3-(4-hydroxyphenyl)butan-2-yl]phenol

2.1.2 InChI

InChI=1S/C16H18O2/c1-11(13-3-7-15(17)8-4-13)12(2)14-5-9-16(18)10-6-14/h3-12,17-18H,1-2H3/t11-,12-/m1/s1

2.1.3 InChI Key

GDUYFVYTXYOMSJ-VXGBXAGGSA-N

2.1.4 Canonical SMILES

CC(C1=CC=C(C=C1)O)C(C)C2=CC=C(C=C2)O

2.1.5 Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)O)[C@@H](C)C2=CC=C(C=C2)O

2.2 Other Identifiers

2.2.1 UNII

9S69QHQ4DU

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2-bis(4-hydroxyphenyl)butane

2. Butestrol

3. Butestrol, (r*,r*)-(+)-isomer

4. Butestrol, (r*,r*)-(-)-isomer

5. Butestrol, (r-(r*,s*))-isomer

6. Isobutestrol

7. Meso-dma

2.3.2 Depositor-Supplied Synonyms

1. Butestrol

2. Dl-butestrol

3. 5776-76-1

4. 9s69qhq4du

5. Racemic-butestrol

6. Racemic-butoestrol

7. 15542-16-2

8. D-dma

9. L-dma

10. Dl-dma

11. (-)-4,4'-(1,2-dimethylethylene)diphenol

12. (+-)-4,4'-(1,2-dimethylethylene)diphenol

13. Racemic-4,4'-(1,2-dimethylethylene)diphenol

14. D-alpha,alpha'-dimethyl-4,4'-dihydroxybibenzyl

15. L-alpha,alpha'-dimethyl-4,4'-dihydroxybibenzyl

16. Dl-alpha,alpha'-dimethyl-4,4'-dihydroxybibenzyl

17. Phenol, 4,4'-(1,2-dimethylethylene)di-, (+)-

18. Phenol, 4,4'-(1,2-dimethylethylene)di-, (-)-

19. Phenol, 4,4'-(1,2-dimethylethylene)di-, Racemic-

20. Rac-butestrol

21. Racemic Butestrol

22. Unii-9s69qhq4du

23. Phenol, 4,4'-(1,2-dimethylethylene)di-, (+-)-

24. Dtxsid80935205

25. Dtxsid101337413

26. Zinc3631508

27. 4,4'-(butane-2,3-diyl)diphenol

28. 17808-24-1

29. Phenol, 4,4'-(1,2-dimethylethylene)di-, (+/-)-

30. (+/-)-.alpha.,.alpha.'-dimethyl-4,4'-dihydroxybibenzyl

31. Phenol, 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis-, (r*,r*)-

32. Phenol, 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis-, (r*,r*)-(+/-)-

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₈O₂
Molecular Weight	242.31 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	242.130679813 g/mol
Monoisotopic Mass	242.130679813 g/mol
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	212
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Butestrol

Butestrol

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