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Overview of CAS 56718-71-9

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4CH-010616
PharmaCompass
4CH-010616
Also known as: 56718-71-9, P-(2-methoxyethyl)phenol, Phenol, 4-(2-methoxyethyl)-, 4-methoxyethylphenol, P-(2-methoxyethyl) phenol, Metoprolol impurity b
Molecular Formula
C9H12O2
Molecular Weight
152.193  g/mol
InChI Key
FAYGEALAEQKPDI-UHFFFAOYSA-N
FDA UNII
PY1W0AKW8I

1 2D Structure

4CH-010616

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(2-methoxyethyl)phenol
2.1.2 InChI
InChI=1S/C9H12O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,10H,6-7H2,1H3
2.1.3 InChI Key
FAYGEALAEQKPDI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COCCC1=CC=C(C=C1)O
2.2 Other Identifiers
2.2.1 UNII
PY1W0AKW8I
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 56718-71-9

2. P-(2-methoxyethyl)phenol

3. Phenol, 4-(2-methoxyethyl)-

4. 4-methoxyethylphenol

5. P-(2-methoxyethyl) Phenol

6. Metoprolol Impurity B

7. Unii-py1w0akw8i

8. Metoprolol Impurity I

9. 4-(2-methoxy Ethyl)-phenol

10. Chembl1094369

11. 4-hydroxyphenylethyl Methyl Ether

12. Faygealaeqkpdi-uhfffaoysa-n

13. 4-(2'-methoxyethyl)phenol

14. Mfcd00017537

15. St50824360

16. 4-(2-methoxyethyl)-phenol

17. Einecs 260-354-9

18. 4-methoxy Ethyl Phenol

19. 4(2-methoxyethyl)phenol

20. Ac1l3oad

21. Ac1q4fms

22. Acmc-1auk5

23. Py1w0akw8i

24. 4-(2'methoxyethyl)phenol

25. Ac1q7a8a

26. 4-(2-methoxy Ethyl)phenol

27. 4-(2-methoxyethyl) Phenol

28. 4-(2-methoxy Ethyl) Phenol

29. 4-(2-methoxy-ethyl)-phenol

30. Ksc495i9l

31. Schembl303516

32. P-hydroxyphenethyl Methyl Ether

33. Dtxsid2073564

34. Ctk3j5495

35. Attercop-chm At108983

36. Molport-001-791-654

37. 4-(2-methoxyethyl)phenol, 97%

38. Cs-m3678

39. Ks-000009aq

40. Zinc2566176

41. Anw-32571

42. Bdbm50316786

43. Cm-162

44. Akos000120544

45. As00207

46. Mcule-8081983402

47. Ne10781

48. Rp21632

49. Tra0031102

50. Ac-23553

51. Aj-41251

52. Ak-81695

53. An-40121

54. Cj-09744

55. Kb-33885

56. Or001333

57. Ts-02027

58. Ab1008138

59. Rt-002554

60. 4ch-010616

61. Ft-0082935

62. Ft-0616546

63. Ft-0652026

64. M1167

65. St24023125

66. A16075

67. I01-1436

68. I01-6139

69. W-105505

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 152.193 g/mol
Molecular Formula C9H12O2
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass152.084 g/mol
Monoisotopic Mass152.084 g/mol
Topological Polar Surface Area29.5 A^2
Heavy Atom Count11
Formal Charge0
Complexity95.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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