CAS 3516-95-8

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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

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 Formula	C₁₅H₁₄O₂
Molecular Weight	226.27 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	226.099379685 g/mol
Monoisotopic Mass	226.099379685 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	243
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