4-Methoxybenzophenone

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 611-94-9, (4-methoxyphenyl)(phenyl)methanone, P-methoxybenzophenone, Methanone, (4-methoxyphenyl)phenyl-, Benzophenone, 4-methoxy-, Phenyl p-anisyl ketone

Molecular Formula

C₁₄H₁₂O₂

Molecular Weight

212.24 g/mol

InChI Key

SWFHGTMLYIBPPA-UHFFFAOYSA-N

FDA UNII

I4XJ07373M

1 2D Structure

4-Methoxybenzophenone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-methoxyphenyl)-phenylmethanone

2.1.2 InChI

InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3

2.1.3 InChI Key

SWFHGTMLYIBPPA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

2.2 Other Identifiers

2.2.1 UNII

I4XJ07373M

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 611-94-9

2. (4-methoxyphenyl)(phenyl)methanone

3. P-methoxybenzophenone

4. Methanone, (4-methoxyphenyl)phenyl-

5. Benzophenone, 4-methoxy-

6. Phenyl P-anisyl Ketone

7. (4-methoxyphenyl)phenylmethanone

8. Mfcd00008403

9. P-methoxy Benzophenone

10. (4-methoxyphenyl)-phenylmethanone

11. Chembl198085

12. I4xj07373m

13. Nsc-2194

14. 4-benzoylanisole

15. Nsc 2194

16. Einecs 210-285-5

17. Unii-i4xj07373m

18. Ai3-00785

19. Para-methoxybenzophenone

20. Chemdiv3_000362

21. Schembl50261

22. 4-methoxybenzophenone, 97%

23. Cid_69146

24. Mls000720066

25. Dtxsid00209995

26. Nsc2194

27. Hms1474a10

28. Hms2592m22

29. Zinc244531

30. Bbl023540

31. Bdbm50174205

32. Stl286831

33. (4-methoxyphenyl)(phenyl)methanone #

34. Akos000120669

35. Cs-w015010

36. Ps-7987

37. Ncgc00175648-01

38. Ac-12233

39. Smr000304595

40. Sy015494

41. Db-053808

42. Bb 0220632

43. Ft-0602810

44. M0357

45. Ab00614512-07

46. A833084

47. Af-753/00317053

48. Sr-01000397672

49. Sr-01000397672-1

50. W-105184

51. Brd-k76902650-001-01-2

52. Q27280450

53. Z53836180

54. (4-methoxyphenyl)-phenyl-methanone;4-methoxybenzophenone

55. 4-fluoro-7h-pyrrolo[2,3-d]pyrimidine-6-carboxylicacid

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂O₂
Molecular Weight	212.24 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	212.083729621 g/mol
Monoisotopic Mass	212.083729621 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	223
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

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