CAS 3923-52-2

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Also known as: 3923-52-2, 1,1-diphenylprop-2-yn-1-ol, Diphenylethinylcarbinol, Diphenylethynylcarbinol, Ethynyldiphenylmethanol, 1,1-diphenylpropargyl alcohol

Molecular Formula

C₁₅H₁₂O

Molecular Weight

208.25 g/mol

InChI Key

SMCLTAARQYTXLW-UHFFFAOYSA-N

FDA UNII

6LV4Q9O7K4

1 2D Structure

CAS 3923-52-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,1-diphenylprop-2-yn-1-ol

2.1.2 InChI

InChI=1S/C15H12O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,3-12,16H

2.1.3 InChI Key

SMCLTAARQYTXLW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

6LV4Q9O7K4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3923-52-2

2. 1,1-diphenylprop-2-yn-1-ol

3. Diphenylethinylcarbinol

4. Diphenylethynylcarbinol

5. Ethynyldiphenylmethanol

6. 1,1-diphenylpropargyl Alcohol

7. 2-propyn-1-ol, 1,1-diphenyl-

8. 3,3-diphenyl-3-hydroxy-1-propyne

9. Benzenemethanol, .alpha.-ethynyl-.alpha.-phenyl-

10. 6lv4q9o7k4

11. Chembl3933877

12. 1,1-diphenyl-1-hydroxy-2-propyne

13. Mfcd00041570

14. Nsc-113228

15. Timtec-bb Sbb008737

16. Nsc 113228

17. Brn 0514549

18. Benzenemethanol, Alpha-ethynyl-alpha-phenyl-

19. Benzenemethanol, A-ethynyl-a-phenyl-

20. Nsc113228

21. Diphenyl-2-propyn-1-ol

22. 1,1-diphenylpropyn-1-ol

23. Unii-6lv4q9o7k4

24. 4-06-00-04940 (beilstein Handbook Reference)

25. 2-propyn-1-ol,1-diphenyl-

26. Schembl362964

27. 3,3-diphenyl-1-propyn-3-ol

28. 1,1-diphenyl-2-propyne-1-ol

29. 1,1-diphenyl-2-propyne 1-ol

30. Dtxsid3021697

31. 1,1-diphenyl-prop-2-yn-1-ol

32. Smcltaarqytxlw-uhfffaoysa-

33. 1,1-di(phenyl)prop-2-yn-1-ol

34. Hms1607a15

35. 3,3-diphenyl-propyn-1-ol

36. Amy30930

37. Zinc1704130

38. Bbl027978

39. Bdbm50200116

40. Geo-02729

41. Stl008012

42. Akos001483106

43. 1,1-diphenyl-2-propyn-1-ol, 99%

44. Ccg-103098

45. Fs-4039

46. Ac-29752

47. Sy039356

48. Db-002359

49. Cs-0132297

50. D2495

51. Eu-0000049

52. Ft-0606146

53. F14896

54. A824476

55. Sr-01000388957

56. J-660060

57. Sr-01000388957-1

58. W-200338

59. .alpha.-ethynyl-.alpha.-phenylbenzenemethanol

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₂O
Molecular Weight	208.25 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	208.088815002 g/mol
Monoisotopic Mass	208.088815002 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	242
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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