CAS 122-84-9

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Also known as: 122-84-9, 1-(4-methoxyphenyl)propan-2-one, Anisketone, 2-propanone, 1-(4-methoxyphenyl)-, Anisyl methyl ketone, P-acetonylanisole

Molecular Formula

C₁₀H₁₂O₂

Molecular Weight

164.20 g/mol

InChI Key

WFWKNGZODAOLEO-UHFFFAOYSA-N

FDA UNII

6XYW3YJJ33

P-anisyl methyl ketone is a natural product found in Illicium verum, Clausena heptaphylla, and Pimpinella anisum with data available.

1 2D Structure

CAS 122-84-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-methoxyphenyl)propan-2-one

2.1.2 InChI

InChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3

2.1.3 InChI Key

WFWKNGZODAOLEO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)CC1=CC=C(C=C1)OC

2.2 Other Identifiers

2.2.1 UNII

6XYW3YJJ33

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 122-84-9

2. 1-(4-methoxyphenyl)propan-2-one

3. Anisketone

4. 2-propanone, 1-(4-methoxyphenyl)-

5. Anisyl Methyl Ketone

6. P-acetonylanisole

7. P-methoxyphenylacetone

8. Anisic Ketone

9. 1-(4-methoxyphenyl)-2-propanone

10. 1-(p-methoxyphenyl)-2-propanone

11. 4-methoxybenzyl Methyl Ketone

12. P-methoxybenzyl Methyl Ketone

13. 1-(4-methoxyphenyl)acetone

14. 1-(p-anisyl)-2-propanone

15. 4'-methoxyphenyl-2-propanone

16. 2-propanone, 1-(p-methoxyphenyl)-

17. 2-propanone, (p-methoxyphenyl)-

18. P-anisylacetone

19. (p-methoxyphenyl)-2-propanone

20. Fema No. 2674

21. Nsc 22983

22. 1-(4-methoxy-phenyl)-propan-2-one

23. Para-anisyl Methyl Ketone

24. Mfcd00008773

25. 6xyw3yjj33

26. Nsc-22983

27. Nsc-46101

28. P-anisylactone

29. Einecs 204-578-7

30. Unii-6xyw3yjj33

31. Brn 2044332

32. Anisylaceton

33. Anisyl Ketone

34. Anisylacetone?

35. Ai3-37913

36. 1-(p-methoxyphenyl)-2-propanone (natural)

37. 4-acetonylanisole

38. P-methoxy Phenylacetone

39. 4-methoxyphenoxyacetone

40. 4-methoxy Phenylacetone

41. 4-methoxyphenyl Acetone

42. (p-methoxyphenyl)acetone

43. 4-methoxy Phenyl Acetone

44. Anisylmethyl Ketone

45. Schembl48525

46. Ghl.pd_mitscher_leg0.658

47. 4-08-00-00460 (beilstein Handbook Reference)

48. 4-methoxyphenyl-propan-2-one

49. 1-(4-methoxyphenyl)acetone #

50. Chembl473366

51. Para-methoxyphenylacetone

52. Dtxsid9059545

53. 4-methoxyphenylacetone, >=97%

54. Fema 2674

55. Chebi:180410

56. 1-(4'-methoxyphenyl)-2-propanone

57. 1-(4-methoxy-phenyl)propan-2-one

58. 1-(4-methoxyphenyl)-propan-2-one

59. Nsc22983

60. Nsc46101

61. Zinc1848437

62. 1-(4methoxy-phenyl)-propan-2-one

63. Bbl027728

64. Stl146340

65. Akos000119418

66. Ab00957

67. Ac-5625

68. Cs-w002045

69. 3-(4-methoxyphenyl)-2-propanone

70. As-12912

71. Sy001528

72. 1-(p-methoxyphenyl)-2-propanone, >=97%

73. Db-003502

74. Am20050064

75. Ft-0618954

76. Ft-0671146

77. M0675

78. 1-(p-methoxyphenyl)-2-propanone [fhfi]

79. A804974

80. W-108423

81. Q27265692

82. F0001-0359

83. Mebeverine Hydrochloride Impurity A [ep Impurity]

84. 915232-26-7

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₂
Molecular Weight	164.20 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	164.083729621 g/mol
Monoisotopic Mass	164.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146
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