MolPort-001-769-161

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Also known as: 540-38-5, P-iodophenol, Phenol, 4-iodo-, Phenol, p-iodo-, P-hydroxyiodobenzene, 4-hydroxyphenyl iodide

Molecular Formula

C₆H₅IO

Molecular Weight

220.01 g/mol

InChI Key

VSMDINRNYYEDRN-UHFFFAOYSA-N

FDA UNII

BH194BAK0B

1 2D Structure

MolPort-001-769-161

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-iodophenol

2.1.2 InChI

InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/h1-4,8H

2.1.3 InChI Key

VSMDINRNYYEDRN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1O)I

2.2 Other Identifiers

2.2.1 UNII

BH194BAK0B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. P-iodophenol

2. Para-iodophenol

2.3.2 Depositor-Supplied Synonyms

1. 540-38-5

2. P-iodophenol

3. Phenol, 4-iodo-

4. Phenol, P-iodo-

5. P-hydroxyiodobenzene

6. 4-hydroxyphenyl Iodide

7. 4-iodo-phenol

8. Para-iodophenol

9. Bh194bak0b

10. Chebi:43521

11. 4-hydroxyiodobenzene

12. Nsc-91464

13. P-jodphenol

14. Iol

15. Ccris 668

16. Einecs 208-745-5

17. Mfcd00002327

18. Nsc 91464

19. Unii-bh194bak0b

20. Paraiodophenol

21. 4-iodanylphenol

22. P-iodo-phenol

23. 4 Iodophenol

24. 4-iodphenol

25. Para-iodo-phenol

26. 4-jodphenol

27. 4-iodo Phenol

28. 4-iodophenol, 99%

29. P-iodophenol [mi]

30. Schembl5514

31. Dsstox_cid_30756

32. Nciopen2_005594

33. Dsstox_gsid_52186

34. Chembl56475

35. P-iodophenol [who-dd]

36. Dtxsid4052186

37. Bdbm36300

38. Zinc391103

39. Bcp14445

40. Nsc91464

41. Tox21_303957

42. Stl445583

43. Akos000120743

44. Ac-5105

45. Db03002

46. Gs-6844

47. Ncgc00357191-01

48. 4-iodophenol, Purum, >=98.0% (gc)

49. Cas-540-38-5

50. Db-006848

51. Am20040675

52. Ft-0601339

53. I0311

54. I0840

55. A829921

56. W-105681

57. Q27093973

58. F1905-7213

59. Z425387782

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₅IO
Molecular Weight	220.01 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	219.93851 g/mol
Monoisotopic Mass	219.93851 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
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