Benzarone

Synopsis, Chemistry

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Also known as: 1477-19-6, (2-ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone, Vasoc, Fragivix, Venagil, Benzarona

Molecular Formula

C₁₇H₁₄O₃

Molecular Weight

266.29 g/mol

InChI Key

RFRXIWQYSOIBDI-UHFFFAOYSA-N

FDA UNII

23ZW4BG89C

1 2D Structure

Benzarone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3

2.1.3 InChI Key

RFRXIWQYSOIBDI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O

2.2 Other Identifiers

2.2.1 UNII

23ZW4BG89C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Benzaron

2. Ehbb

2.3.2 Depositor-Supplied Synonyms

1. 1477-19-6

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

3. Vasoc

4. Fragivix

5. Venagil

6. Benzarona

7. Benzaronum

8. Fagivil

9. 2-ethyl-3-benzofuranyl P-hydroxyphenyl Ketone

10. 2-ethyl-3-(4-hydroxybenzoyl)benzofuran

11. Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxyphenyl)-

12. L 2197

13. Nsc 82134

14. 2-ethyl-3-(p-hydroxybenzoyl)benzofuran

15. 2-ethyl-4'-hydroxy-3-benzoylbenzofuran

16. (2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone

17. Nsc-82134

18. Ketone, 2-ethyl-3-benzofuranyl P-hydroxyphenyl

19. 23zw4bg89c

20. Benzaron

21. Chembl1474963

22. Fragivil

23. Chebi:34559

24. Benzofuran, (2-ethyl-3-(4'-hydroxybenzoyl))

25. Nsc82134

26. (2-ethyl-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone

27. L-2197

28. Benzarone [inn:dcf]

29. (2-ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone (benzarone)

30. Benzaronum [inn-latin]

31. Benzarona [inn-spanish]

32. L 2197-labaz

33. Benzofuran, [2-ethyl-3-(4'-hydroxybenzoyl)]

34. Einecs 216-026-2

35. L 2179-labaz

36. Brn 0222901

37. Unii-23zw4bg89c

38. 2-ethyl-3-(4'-hydroxybenzoyl)benzofuran

39. Ethyl-2 (hydroxy-4 Benzoyl)-3 Benzofuranne [french]

40. Benzarone [inn]

41. Benzarone [mi]

42. Ethyl-2 (hydroxy-4 Benzoyl)-3 Benzofuranne

43. Benzarone [mart.]

44. Zinc71

45. Benzarone [who-dd]

46. Nciopen2_004472

47. 5-18-02-00334 (beilstein Handbook Reference)

48. Mls006010019

49. Schembl555497

50. (2-ethylbenzofuran-3-yl)-(4-hydroxyphenyl)methanone

51. Dtxsid2061721

52. Ex-a1132

53. Wln: T56 Boj C2 Dor Dq

54. 2-ethyl-3-p-hydroxybenzoylbenzofuran

55. Bdbm50342278

56. Mfcd00867417

57. Akos016010825

58. Hy-w011711

59. Ac-36827

60. As-18081

61. Smr001550644

62. E1289

63. Unm000003519301

64. F17414

65. 477b196

66. Sr-01000945019

67. (2-ethyl-3-benzofuranyl)(4-hydroxyphenyl)methanone

68. [[4-(1-methyl-1-phenylethyl)phenoxy]methyl]-oxiran

69. Sr-01000945019-1

70. Q27116149

71. (2-ethyl-benzofuran-3-yl)-(4-hydroxy-phenyl)-methanone

72. (2-ethylbenzo[b]furan-3-yl)(4-hydroxyphenyl)methanone

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₄O₃
Molecular Weight	266.29 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	266.094294304 g/mol
Monoisotopic Mass	266.094294304 g/mol
Topological Polar Surface Area	50.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	346
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