CAS 81936-33-6

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Also known as: 81936-33-6, 4-(4-propylcyclohexyl)phenol, 4-propylcyclohexanephenol, 4-(trans-4-n-propylcyclohexyl)phenol, 83167-91-3, Phenol, 4-(trans-4-propylcyclohexyl)-

Molecular Formula

C₁₅H₂₂O

Molecular Weight

218.33 g/mol

InChI Key

AHAZEMSUUYFDMM-UHFFFAOYSA-N

1 2D Structure

CAS 81936-33-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(4-propylcyclohexyl)phenol

2.1.2 InChI

InChI=1S/C15H22O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h8-13,16H,2-7H2,1H3

2.1.3 InChI Key

AHAZEMSUUYFDMM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 81936-33-6

2. 4-(4-propylcyclohexyl)phenol

3. 4-propylcyclohexanephenol

4. 4-(trans-4-n-propylcyclohexyl)phenol

5. 83167-91-3

6. Phenol, 4-(trans-4-propylcyclohexyl)-

7. 4-((1s,4r)-4-propylcyclohexyl)phenol

8. 4-[(1s,4r)-4-propylcyclohexyl]phenol

9. Trans-4-(4-propylcyclohexyl)phenol

10. Schembl1119887

11. Schembl1531852

12. Schembl12744495

13. Schembl15725343

14. 4-(4-n-propylcyclohexyl)-phenol

15. Amy8797

16. 4-(4-propyl-1-cyclohexyl)phenol

17. Dtxsid001002322

18. Dtxsid301286600

19. Amy25198

20. Zinc1506910

21. 4-(trans-4-propylcyclohexyl)-phenol

22. Mfcd00452661

23. Mfcd00673751

24. Np(trans-4-n-propylcyclohexyl)phenol

25. Stk025759

26. P-(trans-4-n-propylcyclohexyl)phenol

27. Akos000508278

28. Akos015839580

29. Zinc100057269

30. Zinc245204369

31. 3.3-dimethyl-2-one-butanoicacidnasalt

32. 4-(trans-4-n-propylcyclohexyl)-phenol

33. Phenol, 4-(4-propylcyclohexyl)-, Cis-

34. Ac-10354

35. As-61829

36. Db-075903

37. 4-(4alpha-propylcyclohexane-1beta-yl)phenol

38. Cs-0168534

39. Cs-0322378

40. Ft-0641844

41. Ft-0715444

42. P1616

43. Methyl?2-(4-(benzyloxy)phenyl)pent-4-enoate

44. 1-hydroxy-4-(trans-4-propylcyclohexyl)benzene

45. F16536

46. Trans-1-(4-hydroxyphenyl)-4-propyl-cyclohexane

47. 936n336

48. A840223

49. Sr-01000389343

50. Sr-01000389343-1

51. 152126-35-7

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₂O
Molecular Weight	218.33 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	218.167065321 g/mol
Monoisotopic Mass	218.167065321 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	186
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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