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2D Structure
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

2D Structure

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 Weight 164.20 g/mol
Molecular Formula C10H12O2
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621 g/mol
Monoisotopic Mass164.083729621 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity146
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1