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Chemistry

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Also known as: 94-86-0, Propenylguaethol, 2-ethoxy-5-(1-propenyl)phenol, Propenyl guaethol, Isosafroeugenol, 2-ethoxy-5-propenylphenol
Molecular Formula
C11H14O2
Molecular Weight
178.23  g/mol
InChI Key
RADIRXJQODWKGQ-HWKANZROSA-N
FDA UNII
JP95W81L3F

Propenylguaethol
1 2D Structure

Propenylguaethol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-ethoxy-5-[(E)-prop-1-enyl]phenol
2.1.2 InChI
InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+
2.1.3 InChI Key
RADIRXJQODWKGQ-HWKANZROSA-N
2.1.4 Canonical SMILES
CCOC1=C(C=C(C=C1)C=CC)O
2.1.5 Isomeric SMILES
CCOC1=C(C=C(C=C1)/C=C/C)O
2.2 Other Identifiers
2.2.1 UNII
JP95W81L3F
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 94-86-0

2. Propenylguaethol

3. 2-ethoxy-5-(1-propenyl)phenol

4. Propenyl Guaethol

5. Isosafroeugenol

6. 2-ethoxy-5-propenylphenol

7. 6-ethoxy-m-anol

8. Trans-2-ethoxy-5-(1-propenyl)phenol

9. 2-ethoxy-5-prop-1-enylphenol

10. Hydroxy Methyl Anethol

11. 5-propenylguaethol

12. Hydroxymethyl Anethole

13. 63477-41-8

14. Fema No. 2922

15. 2-ethoxy-5-(prop-1-en-1-yl)phenol

16. Phenol, 2-ethoxy-5-propenyl-

17. 2-ethoxy-5-[(e)-prop-1-enyl]phenol

18. 1-ethoxy-2-hydroxy-4-propenylbenzene

19. Propenylguaethol [fcc]

20. 2-ethoxy-5-[(1e)-prop-1-en-1-yl]phenol

21. Propenyl Guaethol [ii]

22. Propenylguaethol [fhfi]

23. 2-ethoxy-5-propenyl-phenol

24. Jp95w81l3f

25. Nsc-5194

26. Nsc 5194

27. Unii-jp95w81l3f

28. Propenylguaetol

29. Isosafroeugenole

30. Iso Safroeugenol

31. Propenylguaethole

32. Nsc5194

33. Wln: 2u1r Cq Do2

34. Dtxsid7047726

35. Fema 2922

36. Chebi:173836

37. Bbl018765

38. Mfcd00009283

39. Stl195347

40. Zinc12410579

41. Akos015838841

42. 2-ethoxy-5-(1-propenyl)phenol, 9ci

43. As-9932

44. Ccg-357198

45. Cs-w017326

46. (e)-2-ethoxy-5-(prop-1-enyl)phenol

47. 2-ethoxy-5-[(1e)-1-propenyl]phenol

48. Propenyl Guaethol, >=99%, Fcc, Fg

49. 2-ethoxy-5-[(e)-prop-1-enyl]-phenol

50. (e)-2-ethoxy-5-(prop-1-en-1-yl)phenol

51. 1-ethoxy-2-hydroxy-4-(1-propenyl)benzene

52. E0804

53. Trans-2-ethoxy-5-(1-propenyl)phenol, 97%

54. D77808

55. A845117

56. W-100180

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 178.23 g/mol
Molecular Formula C11H14O2
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass178.099379685 g/mol
Monoisotopic Mass178.099379685 g/mol
Topological Polar Surface Area29.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity166
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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