CAS 100-06-1

Chemistry

Chemistry

Manufacturers/Suppliers

1 Suppliers

1 Suppliers

Also known as: 100-06-1, 4-methoxyacetophenone, 4-acetylanisole, 1-(4-methoxyphenyl)ethanone, Acetanisole, P-methoxyacetophenone

Molecular Formula

C₉H₁₀O₂

Molecular Weight

150.17 g/mol

InChI Key

NTPLXRHDUXRPNE-UHFFFAOYSA-N

FDA UNII

0IRH2BR587

P-methoxyacetophenone is a natural product found in Mitracarpus hirtus, Chuquiraga spinosa, and other organisms with data available.

1 2D Structure

CAS 100-06-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-methoxyphenyl)ethanone

2.1.2 InChI

InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3

2.1.3 InChI Key

NTPLXRHDUXRPNE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

0IRH2BR587

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-acetylanisole

2. 4-methoxyacetophenone

2.3.2 Depositor-Supplied Synonyms

1. 100-06-1

2. 4-methoxyacetophenone

3. 4-acetylanisole

4. 1-(4-methoxyphenyl)ethanone

5. Acetanisole

6. P-methoxyacetophenone

7. Novatone

8. Linarodin

9. Vananote

10. 1-(4-methoxyphenyl)ethan-1-one

11. Ethanone, 1-(4-methoxyphenyl)-

12. P-acetylanisole

13. 4-methoxyphenyl Methyl Ketone

14. Acetophenone, 4'-methoxy-

15. P-methoxyphenyl Methyl Ketone

16. P-methoxy Acetophenone

17. Methyl P-methoxyphenyl Ketone

18. 4-methoxyacetofenon

19. Methyl 4-methoxyphenyl Ketone

20. Fema No. 2005

21. P-metoxyacetophenone

22. Nsc 209523

23. 4-methoxy Acetophenone

24. 4-methoxy-acetophenone

25. Para-methoxyacetophenone

26. 4'-methoxy-acetophenone

27. 1-(4-methoxyphenyl)-ethanone

28. 0irh2br587

29. Chembl401912

30. Chebi:86567

31. Nsc-5601

32. Nsc-209523

33. Wln: 1vr Do1

34. Para-acetanisole

35. 4-acetoanisole

36. 4-methoxyacetophenone (d3)

37. Anisyl, P-, Methyl Ketone

38. 4-methoxyacetofenon [czech]

39. Einecs 202-815-9

40. Mfcd00008745

41. Acetylanisole

42. Unii-0irh2br587

43. Ai3-00227

44. P-methoxyactophenone

45. Paramethoxyacetophenone

46. P -methoxyacetophenone

47. P-methoxy-acetophenone

48. 4 -methoxyacetophenone

49. Acetophenone, P-methoxy-

50. Acetanisole [fcc]

51. Acetanisole [fhfi]

52. Bmse010024

53. Ec 202-815-9

54. Dsstox_cid_24347

55. Dsstox_rid_80160

56. Dsstox_gsid_44347

57. Schembl41285

58. 1-(4-methoxy-phenyl)ethanone

59. 1-(4-methoxyphenyl) Ethanone

60. 4'-methoxyacetophenone, 99%

61. 1-(4-methoxy-phenyl)-ethanone

62. 1-(4-methoxyphenyl)ethanone #

63. Dtxsid2044347

64. Schembl12015229

65. Fema 2005

66. Hsdb 8319

67. 1-(4-methoxyphenyl)-1-ethanone

68. 1-[4-(methyloxy)phenyl]ethanone

69. Nsc5601

70. Zinc157405

71. Acetanisole, >=98%, Fcc, Fg

72. Amy21966

73. Str00157

74. Tox21_300687

75. Bdbm50376209

76. Nsc209523

77. Stk498196

78. Akos000119536

79. Ps-3395

80. Ncgc00188270-01

81. Ncgc00188270-02

82. Ncgc00254595-01

83. Ac-10916

84. Cas-100-06-1

85. 4'-methoxyacetophenone, Analytical Standard

86. Db-003499

87. Bb 0258870

88. Cs-0008322

89. Ft-0618906

90. M0105

91. D71251

92. 4'-methoxyacetophenone, Purum, >=99.0% (gc)

93. Ab-131/40174083

94. Q229995

95. W-108978

96. Z53832960

97. F0001-0007

98. 4-acetylanisole 4'-methoxyacetophenone 1-(4-methoxyphenyl)ethanone Acetanisole Novatone 4-acetylanisole Linarodin Vananote Acetophenone, 4'-methoxy- Ethanone, 1-(4-methoxyphenyl)- P-methoxyacetophenone

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₂
Molecular Weight	150.17 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	150.068079557 g/mol
Monoisotopic Mass	150.068079557 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	135
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