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Chemistry

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Also known as: 3228-02-2, 3-methyl-4-isopropylphenol, 4-isopropyl-m-cresol, O-cymen-5-ol, Biosol, 3-methyl-4-propan-2-ylphenol

Molecular Formula

C₁₀H₁₄O

Molecular Weight

150.22 g/mol

InChI Key

IJALWSVNUBBQRA-UHFFFAOYSA-N

FDA UNII

H41B6Q1I9L

o-cymen-5-ol is a natural product found in Salvia rosmarinus with data available.

1 2D Structure

O-Cymen-5-Ol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-methyl-4-propan-2-ylphenol

2.1.2 InChI

InChI=1S/C10H14O/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7,11H,1-3H3

2.1.3 InChI Key

IJALWSVNUBBQRA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=CC(=C1)O)C(C)C

2.2 Other Identifiers

2.2.1 UNII

H41B6Q1I9L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. O-cymen-5-ol

2.3.2 Depositor-Supplied Synonyms

1. 3228-02-2

2. 3-methyl-4-isopropylphenol

3. 4-isopropyl-m-cresol

4. O-cymen-5-ol

5. Biosol

6. 3-methyl-4-propan-2-ylphenol

7. P-thymol

8. Phenol, 3-methyl-4-(1-methylethyl)-

9. O-cymen-5y-ol

10. 4-isopropyl-5-methylphenol

11. 4-isopropyl-3-methyl-phenol

12. 1-hydroxy-3-methyl-4-isopropylbenzene

13. 3-methyl-4-(propan-2-yl)phenol

14. 3-methyl-4-(1-methylethyl)phenol

15. Mfcd00010704

16. H41b6q1i9l

17. Nsc-62111

18. Frecide

19. Biosal (antibacterial)

20. Isopropylmethylphenol

21. Einecs 221-761-7

22. Nsc 62111

23. Dekacymen

24. Brn 1364028

25. Unii-h41b6q1i9l

26. 2-cymen-5-ol

27. 4-iso-propyl-3-methylphenol

28. Cymen-5-ol, O-

29. Bidd:er0450

30. Schembl133674

31. O-cymen-5-ol [inci]

32. Chebi:34429

33. Ijalwsvnubbqra-uhfffaoysa-

34. Dtxsid10186026

35. O-cymen-5y-ol [who-dd]

36. 3-methyl-4-isopropylphenol, 99%

37. 4-i-propyl-3-methylphenol

38. 4-isopropyl-3-methylphenol, 99%

39. Amy18255

40. Nsc62111

41. Zinc1691011

42. Akos000119826

43. Ac-9076

44. Ds-6343

45. Bp-12478

46. Sy051849

47. 3-methyl-4-(propan-2-yl)benzolol

48. Db-048192

49. Cs-0072744

50. Ft-0618824

51. M0409

52. F17347

53. 4-06-00-03325 (beilstein Handbook Reference)

54. A821219

55. W-106848

56. Q27116059

57. F0001-0962

58. Z1262246127

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄O
Molecular Weight	150.22 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	150.104465066 g/mol
Monoisotopic Mass	150.104465066 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	120
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