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2D Structure
Also known as: (3-iodophenyl)methanol, 57455-06-8, 3-iodobenzylalcohol, M-iodobenzyl alcohol, Benzyl alcohol, m-iodo-, Benzenemethanol, 3-iodo-
Molecular Formula
C7H7IO
Molecular Weight
234.03  g/mol
InChI Key
QGCCNWSXJHGUNL-UHFFFAOYSA-N
FDA UNII
ASC64V76VR

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3-iodophenyl)methanol
2.1.2 InChI
InChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
2.1.3 InChI Key
QGCCNWSXJHGUNL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)I)CO
2.2 Other Identifiers
2.2.1 UNII
ASC64V76VR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. (3-iodophenyl)methanol

2. 57455-06-8

3. 3-iodobenzylalcohol

4. M-iodobenzyl Alcohol

5. Benzyl Alcohol, M-iodo-

6. Benzenemethanol, 3-iodo-

7. 3-iodo-benzyl Alcohol

8. Asc64v76vr

9. Mfcd00004635

10. Iob

11. Einecs 260-744-9

12. (3-iodo-phenyl)-methanol

13. Brn 3234821

14. 3-iodobenzenemethanol

15. (3-iodophenyl)-methanol

16. Unii-asc64v76vr

17. 3-iodobenzyl Alcohol, 99%

18. 3-hydroxymethyl-1-iodobenzene

19. Schembl132034

20. Dtxsid00206065

21. Zinc406922

22. Act00801

23. Ck2476

24. Akos005068124

25. Db03339

26. Ps-3898

27. Sy049751

28. Am20040750

29. Cs-0059266

30. Ft-0615900

31. I0866

32. A831445

33. J-512699

34. Q27094279

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 234.03 g/mol
Molecular Formula C7H7IO
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass233.95416 g/mol
Monoisotopic Mass233.95416 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1