CAS 121-97-1

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Also known as: 121-97-1, P-methoxypropiophenone, 4-methoxypropiophenone, 1-(4-methoxyphenyl)propan-1-one, 1-propanone, 1-(4-methoxyphenyl)-, Propiophenone, 4'-methoxy-

Molecular Formula

C₁₀H₁₂O₂

Molecular Weight

164.20 g/mol

InChI Key

ZJVAWPKTWVFKHG-UHFFFAOYSA-N

FDA UNII

V4W5HX9O2D

1 2D Structure

CAS 121-97-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C10H12O2/c1-3-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3

2.1.3 InChI Key

ZJVAWPKTWVFKHG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

V4W5HX9O2D

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 121-97-1

2. P-methoxypropiophenone

3. 4-methoxypropiophenone

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

5. 1-propanone, 1-(4-methoxyphenyl)-

6. Propiophenone, 4'-methoxy-

7. Ethyl 4-methoxyphenyl Ketone

8. 1-(4-methoxyphenyl)-1-propanone

9. 4-propanoylanisole

10. 1-(4-methoxy-phenyl)-propan-1-one

11. Mfcd00009310

12. V4w5hx9o2d

13. Nsc-11834

14. 4'-methoxypropiophenone; Ethyl 4-methoxyphenyl Ketone; Ethyl P-methoxyphenyl Ketone; Nsc 11834

15. Nsc11834

16. Einecs 204-512-7

17. Nsc 11834

18. P-methoxy-propiophenone

19. Para-methoxypropiophenone

20. Ai3-04094

21. 4'-methoxy Propiophenone

22. 4''-methoxypropiophenone

23. 4\'-methoxypropiophenone

24. Unii-v4w5hx9o2d

25. Ec 204-512-7

26. Ghl.pd_mitscher_leg0.581

27. Schembl459470

28. 4'-methoxypropiophenone-[d3]

29. Chembl444556

30. Dtxsid0059536

31. 1(4-methoxyphenyl)-1-oxopropane

32. Propiophenone, P-methoxy-

33. Chebi:167420

34. 1-(4-methoxvphenyl)-1-propanone

35. 4'-methoxypropiophenone, >=99%

36. Zinc330146

37. Bcp14923

38. Ethyl P-methoxyphenyl Ketone

39. 1-methoxy-4-propanoylbenzene

40. 1-propanoyl-4-methoxybenzene

41. Stl411987

42. Akos000121514

43. Cs-w020638

44. Ps-6126

45. Bb 0267971

46. Ft-0618962

47. Ft-0671072

48. Ft-0671363

49. M1719

50. D91525

51. Ab-131/40236160

52. W-108444

53. F0001-0351

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₂
Molecular Weight	164.20 g/mol
XLogP3	2.4
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