4'-Benzyloxy-2-bromopropiophenone

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4 End Use APIs
11 Related Intermediates

Chemistry

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Also known as: 35081-45-9, 2-bromo-4'-benzyloxypropiophenone, 4'-(benzyloxy)-2-bromopropiophenone, 1-(4-(benzyloxy)phenyl)-2-bromopropan-1-one, 1-propanone, 2-bromo-1-[4-(phenylmethoxy)phenyl]-, 1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one

Molecular Formula

C₁₆H₁₅BrO₂

Molecular Weight

319.19 g/mol

InChI Key

LSQLSCUJBXFBRB-UHFFFAOYSA-N

1 2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one

2.1.2 InChI

InChI=1S/C16H15BrO2/c1-12(17)16(18)14-7-9-15(10-8-14)19-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3

2.1.3 InChI Key

LSQLSCUJBXFBRB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 35081-45-9

2. 2-bromo-4'-benzyloxypropiophenone

3. 4'-(benzyloxy)-2-bromopropiophenone

4. 1-(4-(benzyloxy)phenyl)-2-bromopropan-1-one

5. 1-propanone, 2-bromo-1-[4-(phenylmethoxy)phenyl]-

6. 1-[4-(benzyloxy)phenyl]-2-bromopropan-1-one

7. 2-bromo-1-(4-phenylmethoxyphenyl)propan-1-one

8. 1-(4-benzyloxy-phenyl)-2-bromo-propan-1-one

9. 1-[4-(benzyloxy)phenyl]-2-bromo-1-propanone

10. 4-(benzyloxy)-2-bromopropiophenone

11. Einecs 252-351-6

12. Nsc321048

13. 1-(4-benzyloxyphenyl)-2-bromopropan-1-one

14. 1-(4-benzyloxyphenyl)-2-bromo-propan-1-one

15. Schembl103047

16. 1-propanone,2-bromo-1-[4-(phenylmethoxy)phenyl]-

17. 4'-benzoxy-2-bromopropiophenone

18. Am931

19. Dtxsid701245048

20. 4'-benzyloxy-2-bromo-propiophenone

21. Albb-010646

22. Bcp30672

23. Mfcd00017862

24. 4'-benzyloxy-alpha-bromopropiophenone

25. 4'-(benzyloxy)-2-bromo Propiophenone

26. Akos005172575

27. Ab92068

28. Nsc 321048

29. Nsc-321048

30. As-15661

31. Db-048719

32. B5990

33. Bb 0258538

34. Cs-0064620

35. Ft-0639229

36. 1-(4-benzyloxyphenyl)-2-bromo-propane-1-one

37. 1-(4-benzyloxy-phenyl)-2-bromo-propane-1-one

38. A23206

39. 081b459

40. 2-bromo-1-[4-(phenylmethoxy)phenyl]-1-propanone

41. J-514495

42. 2-bromo-1-4-(phenylmethoxylphenyl)-1-propanone; 2-bro-mo-4 Inverted Exclamation Mark -(benzyloxy)propiophenone; 4-(benzyloxy)phenyl-bromoethylketone;1-(4-(benzyloxy)phenyl)-2-bromopropan-1-one

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₅BrO₂
Molecular Weight	319.19 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	318.02554 g/mol
Monoisotopic Mass	318.02554 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1