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2D Structure
Also known as: 15686-33-6, 6,6'-methylenebis(4-chloro-2-isopropyl-5-methylphenol), Biclotymol [inn:dcf], 6,6'-dichlor-2,2'-methylendithymol, Hexaspray, 4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol
Molecular Formula
C21H26Cl2O2
Molecular Weight
381.3  g/mol
InChI Key
HNOOXWDWUSLXOB-UHFFFAOYSA-N
FDA UNII
W4K0AE8XW9

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol
2.1.2 InChI
InChI=1S/C21H26Cl2O2/c1-10(2)14-8-18(22)12(5)16(20(14)24)7-17-13(6)19(23)9-15(11(3)4)21(17)25/h8-11,24-25H,7H2,1-6H3
2.1.3 InChI Key
HNOOXWDWUSLXOB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C(=C1CC2=C(C(=CC(=C2C)Cl)C(C)C)O)O)C(C)C)Cl
2.2 Other Identifiers
2.2.1 UNII
W4K0AE8XW9
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2,2-methylenebis(4-chloro-3-methyl-isopropylphenol)

2.3.2 Depositor-Supplied Synonyms

1. 15686-33-6

2. 6,6'-methylenebis(4-chloro-2-isopropyl-5-methylphenol)

3. Biclotymol [inn:dcf]

4. 6,6'-dichlor-2,2'-methylendithymol

5. Hexaspray

6. 4-chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]-3-methyl-6-propan-2-ylphenol

7. 2,2'-methylenebis(6-chlorothymole)

8. W4k0ae8xw9

9. Biclotymol (inn)

10. Biclotymolum

11. Biclotymol [inn]

12. Hexaspray (tn)

13. Biclotymolum [inn-latin]

14. Unii-w4k0ae8xw9

15. Einecs 239-771-5

16. Thymol, 2,2'-methylenebis[6-chloro-

17. Phenol, 2,2'-methylenebis[4-chloro-3-methyl-6-(1-methylethyl)-

18. Biclotymol [mart.]

19. Biclotymol [who-dd]

20. Schembl70634

21. Chembl2107655

22. Dtxsid90166144

23. Chebi:177790

24. Zinc4215009

25. Mfcd00865128

26. Ds-13173

27. Cs-0059759

28. D07527

29. W17157

30. 686b336

31. Q2901642

32. 2,2-methylenebis(4-chloro-3-methyl-isopropylphenol)

33. 4-chloro-2-[(5-chloro-2-hydroxy-3-isopropyl-6-methyl-phenyl)methyl]-6-isopropyl-3-methyl-phenol

2.4 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 381.3 g/mol
Molecular Formula C21H26Cl2O2
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass380.1309855 g/mol
Monoisotopic Mass380.1309855 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1