CAS 451-40-1

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Also known as: 2-phenylacetophenone, 1,2-diphenylethanone, 451-40-1, Benzyl phenyl ketone, Ethanone, 1,2-diphenyl-, Desoxybenzoin

Molecular Formula

C₁₄H₁₂O

Molecular Weight

196.24 g/mol

InChI Key

OTKCEEWUXHVZQI-UHFFFAOYSA-N

FDA UNII

F17V6C9PZX

1 2D Structure

CAS 451-40-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2-diphenylethanone

2.1.2 InChI

InChI=1S/C14H12O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2

2.1.3 InChI Key

OTKCEEWUXHVZQI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)CC(=O)C2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

F17V6C9PZX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2-phenylacetophenone

2. 1,2-diphenylethanone

3. 451-40-1

4. Benzyl Phenyl Ketone

5. Ethanone, 1,2-diphenyl-

6. Desoxybenzoin

7. Phenyl Benzyl Ketone

8. 1,2-diphenylethan-1-one

9. Acetophenone, 2-phenyl-

10. Benzoin, Deoxy-

11. 1,2-diphenyl-ethanone

12. Deoxy Benzoin

13. Benzylphenylketone

14. A-phenylacetophenone

15. Mfcd00003081

16. F17v6c9pzx

17. Nsc-131456

18. Wln: Rv1r

19. Einecs 207-193-2

20. Unii-f17v6c9pzx

21. Nsc 131456

22. Brn 1072876

23. Desoxybenzoine

24. Ai3-10583

25. Bzbn

26. Alpha-phenylacetophenone

27. 1, 2-diphenylethanone

28. 1,2 Diphenyl Ethanone

29. 1,2 Diphenyl-ethanone

30. Enamine_004883

31. 1,2-diphenyl-1-ethanone

32. 2-phenylacetophenone, 97%

33. Dsstox_cid_24430

34. Dsstox_rid_80222

35. Dsstox_gsid_44430

36. Schembl24800

37. 4-07-00-01393 (beilstein Handbook Reference)

38. F3297-0011

39. 1,2-di(phenyl)ethanone

40. Chembl3182695

41. Dtxsid6044430

42. Nsc6097

43. 1,2-diphenylethanone;deoxybenzoin

44. Hms1407n21

45. Amy39030

46. Hy-y1777

47. Nsc-6097

48. Zinc1504261

49. D-(+)-fucose;6-deoxy-d-galactose

50. Tox21_302159

51. Nsc131456

52. Nsc249236

53. Stl264189

54. Akos001050203

55. Ccg-103088

56. Nsc-249236

57. Ncgc00255911-01

58. Ac-11645

59. As-11947

60. Cas-451-40-1

61. Sy010613

62. Db-051270

63. B0435

64. Cs-0019389

65. Eu-0066752

66. Ft-0624508

67. En300-17086

68. A826725

69. Ah-034/32462010

70. Sr-01000388911

71. Sr-01000388911-1

72. W-106163

73. Q27277503

74. Z56876371

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂O
Molecular Weight	196.24 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	196.088815002 g/mol
Monoisotopic Mass	196.088815002 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	197
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