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Also known as: 3516-95-8, 1-(2-hydroxyphenyl)-3-phenylpropan-1-one, 1-propanone, 1-(2-hydroxyphenyl)-3-phenyl-, 0ve7o0z9nz, Chembl490143, 1-(2-hydroxy-phenyl)-3-phenyl-propan-1-one
Molecular Formula
C15H14O2
Molecular Weight
226.27  g/mol
InChI Key
JCPGMXJLFWGRMZ-UHFFFAOYSA-N
FDA UNII
0VE7O0Z9NZ

CAS 3516-95-8
1-(2-hydroxyphenyl)-3-phenylpropan-1-one is a natural product found in Flindersia brassii and Peperomia obtusifolia with data available.
1 2D Structure

CAS 3516-95-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2-hydroxyphenyl)-3-phenylpropan-1-one
2.1.2 InChI
InChI=1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
2.1.3 InChI Key
JCPGMXJLFWGRMZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2O
2.2 Other Identifiers
2.2.1 UNII
0VE7O0Z9NZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 3516-95-8

2. 1-(2-hydroxyphenyl)-3-phenylpropan-1-one

3. 1-propanone, 1-(2-hydroxyphenyl)-3-phenyl-

4. 0ve7o0z9nz

5. Chembl490143

6. 1-(2-hydroxy-phenyl)-3-phenyl-propan-1-one

7. O-hydroxy-.beta.-phenyl Propiophenone

8. Einecs 222-521-4

9. Propafenone Ep Impurity A

10. Unii-0ve7o0z9nz

11. Schembl2827303

12. Dtxsid3074658

13. 2-hydroxyphenyl Phenethyl Ketone

14. Jcpgmxjlfwgrmz-uhfffaoysa-

15. Zinc388042

16. 2'-hydroxy-beta-phenylpropiophenone

17. Bdbm50250379

18. Mfcd00002221

19. 2-hydroxyphenyl 2-phenylethyl Ketone

20. Akos009075984

21. 2-hydroxy-3-phenylpropiophenone

22. Ac-5612

23. 2'-hydroxy-3-phenylpropiophenone, 97%

24. As-14482

25. 1-(2-hydroxyphenyl)-3-phenyl-1-propanone

26. Db-004172

27. .beta.-phenyl-2-hydroxypropiophenone

28. A6178

29. Ft-0634886

30. H1313

31. 1-propanone, 1-(2-hydroxyphenyl)-2-phenyl-

32. En300-22391

33. H10379

34. A890149

35. W-106689

36. Q27231165

37. Z1245646678

38. Propafenone Hydrochloride Impurity A [ep Impurity]

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 226.27 g/mol
Molecular Formula C15H14O2
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass226.099379685 g/mol
Monoisotopic Mass226.099379685 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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