4'-Ethoxyacetophenone

Synopsis, Chemistry

ANALYTICAL SOLUTION(s)

1 Analytical Solutions

1 Analytical Solutions

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Also known as: 1676-63-7, 1-(4-ethoxyphenyl)ethanone, P-ethoxyacetophenone, 4-ethoxyacetophenone, Ethanone, 1-(4-ethoxyphenyl)-, 1-(4-ethoxyphenyl)ethan-1-one

Molecular Formula

C₁₀H₁₂O₂

Molecular Weight

164.20 g/mol

InChI Key

YJFNFQHMQJCPRG-UHFFFAOYSA-N

FDA UNII

EWR02SWC14

1 2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-ethoxyphenyl)ethanone

2.1.2 InChI

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

2.1.3 InChI Key

YJFNFQHMQJCPRG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=CC=C(C=C1)C(=O)C

2.2 Other Identifiers

2.2.1 UNII

EWR02SWC14

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1676-63-7

2. 1-(4-ethoxyphenyl)ethanone

3. P-ethoxyacetophenone

4. 4-ethoxyacetophenone

5. Ethanone, 1-(4-ethoxyphenyl)-

6. 1-(4-ethoxyphenyl)ethan-1-one

7. 4'-ethoxy Acetophenone

8. Acetophenone, 4'-ethoxy-

9. Acetophenone, P-ethoxy-

10. 4-ethoxyphenylethanone

11. Mfcd00009095

12. Ewr02swc14

13. Nsc-403850

14. Nsc-406258

15. 4-acetylphenetole

16. Unii-ewr02swc14

17. Nsc 403850

18. P-ethoxy Acetophenone

19. Einecs 216-825-6

20. Nsc 406258

21. 4'-ethoxy-acetophenone

22. 4\'-ethoxyacetophenone

23. Ai3-01029

24. 4'-ethoxyacetophenone, 98%

25. Schembl166144

26. Dtxsid5061873

27. Zinc159744

28. Act08128

29. Ck1149

30. Nsc403850

31. Nsc406258

32. Stl163384

33. Akos000120844

34. Am10786

35. Cs-w013245

36. Fs-1543

37. Sy011487

38. Db-043709

39. E0458

40. Ft-0618378

41. 4 Inverted Exclamation Mark -ethoxyacetophenone

42. A810888

43. W-107908

44. 4'-ethoxyacetophenone, Vetec(tm) Reagent Grade, 98%

45. Q27277399

46. F0001-0614

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₂O₂
Molecular Weight	164.20 g/mol
XLogP3	2.1
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