CAS 52490-15-0

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Also known as: 52490-15-0, (2-butylbenzofuran-3-yl)(4-hydroxyphenyl)methanone, L-3372, (2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone, Methanone, (2-butyl-3-benzofuranyl)(4-hydroxyphenyl)-, (2-butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone

Molecular Formula

C₁₉H₁₈O₃

Molecular Weight

294.3 g/mol

InChI Key

ZHGKQUXXASLVQQ-UHFFFAOYSA-N

FDA UNII

7PK1H9HDST

1 2D Structure

CAS 52490-15-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone

2.1.2 InChI

InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3

2.1.3 InChI Key

ZHGKQUXXASLVQQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O

2.2 Other Identifiers

2.2.1 UNII

7PK1H9HDST

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 52490-15-0

2. (2-butylbenzofuran-3-yl)(4-hydroxyphenyl)methanone

3. L-3372

4. (2-butyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone

5. Methanone, (2-butyl-3-benzofuranyl)(4-hydroxyphenyl)-

6. (2-butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone

7. Amiodarone Impurity E

8. (2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone

9. 7pk1h9hdst

10. 4-(2-butyl-1-benzofuran-3-carbonyl)phenol

11. Chebi:79569

12. Nsc85438

13. Nsc-85438

14. (2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)-methanone

15. (2-butyl-benzofuran-3-yl)-(4-hydroxy-phenyl)-methanone

16. L 3372

17. 2-butyl-3-(4-hydroxybenzoyl)-benzofuran

18. Unii-7pk1h9hdst

19. (2-butylbenzofuran-3-yl) (4-hydroxyphenyl) Ketone

20. Einecs 257-959-5

21. 2-butyl-3-(4-hydroxybenzoyl) Benzofuran

22. Chemdiv3_001455

23. Nciopen2_004928

24. Oprea1_408298

25. Oprea1_854919

26. Schembl1287970

27. Chembl1523279

28. Bdbm18964

29. Amy3305

30. Dtxsid40200486

31. Hms1477c03

32. Act01879

33. Albb-014278

34. Bcp12498

35. Zinc1760380

36. Amiodarone Related Compound C

37. Mfcd00040947

38. Nsc 85438

39. Stk993691

40. Akos000521104

41. Ac-8754

42. Idi1_020421

43. 2-butyl-3-(4'-hydroxybenzoyl)benzofuran

44. As-68414

45. 2-butyl-3-(4-hydroxy Benzoyl)benzofuran

46. 2-n-butyl-3-(4-hydroxybenzoyl)benzofuran

47. 2-n-butyl-3-(4'-hydroxybenzoyl)benzofuran

48. Db-020749

49. 2-butyl-3-(4-hydroxybenzoyl)-benzo[b]furan

50. 2-n-butyl-3-(4-hydroxy-benzoyl)-benzofuran

51. B3339

52. Ft-0602488

53. Unm000011033701

54. 2-butyl-3-benzofuranyl P-hydroxyphenyl Ketone

55. 2-n-butyl-3-(4-hydroxybenzoyl)benzo[b]furan

56. D87732

57. 4-[(2-butyl-1-benzofuran-3-yl)carbonyl]phenol

58. (2-butylbenzofuran-3-yl)-(4-hydroxyphenyl)ketone

59. 490b150

60. W-105818

61. (2-buty-lbenzofuran-3-yl)(4-hydroxyphenyl)meth Anone

62. Brd-k31030218-001-01-1

63. Ketone, 2-butyl-3-benzofuranyl P-hydroxyphenyl

64. Q27148683

65. Amiodarone Hydrochloride Impurity E [ep Impurity]

66. (2-butyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone #

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₈O₃
Molecular Weight	294.3 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	294.125594432 g/mol
Monoisotopic Mass	294.125594432 g/mol
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	373
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