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2D Structure
Also known as: 2233-18-3, 4-hydroxy-3,5-dimethylbenzaldehyde, Benzaldehyde, 4-hydroxy-3,5-dimethyl-, 4-formyl-2,6-xylenol, 4-hydroxy-3,5-dimethyl-benzaldehyde, 23pa2pmp9f
Molecular Formula
C9H10O2
Molecular Weight
150.17  g/mol
InChI Key
UYGBSRJODQHNLQ-UHFFFAOYSA-N
FDA UNII
23PA2PMP9F

3,5-Dimethyl-4-hydroxybenzaldehyde is a natural product found in Linaria vulgaris with data available.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-hydroxy-3,5-dimethylbenzaldehyde
2.1.2 InChI
InChI=1S/C9H10O2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11H,1-2H3
2.1.3 InChI Key
UYGBSRJODQHNLQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=CC(=C1O)C)C=O
2.2 Other Identifiers
2.2.1 UNII
23PA2PMP9F
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-hydroxy-3,5-dimethylbenzaldehyde

2. Dmhb-3,5

2.3.2 Depositor-Supplied Synonyms

1. 2233-18-3

2. 4-hydroxy-3,5-dimethylbenzaldehyde

3. Benzaldehyde, 4-hydroxy-3,5-dimethyl-

4. 4-formyl-2,6-xylenol

5. 4-hydroxy-3,5-dimethyl-benzaldehyde

6. 23pa2pmp9f

7. Mfcd00006946

8. Nsc-128405

9. 3,5-dimethyl-4-hydorxybenzaldehyde

10. Einecs 218-774-5

11. Nsc 128405

12. Benzaldehyde,5-dimethyl-

13. Unii-23pa2pmp9f

14. 4-formyl-2,6-dimethylphenol

15. Schembl143965

16. Dtxsid8062282

17. 3,5-dimethyl-4-hydroxybenzaidehyde

18. Bcp20234

19. 3,5 -dimethyl-4-hydroxybenzaldehyde

20. 3,5-dimethyl-4-hydroxy Benzaldehyde

21. 3,5-dimethyl-4-hydroxy-benzaldehyde

22. 4-hydroxy 3,5-dimethyl Benzaldehyde

23. 4-hydroxy-3, 5-dimethylbenzaldehyde

24. 4-hydroxy-3,5-dimethyl Benzaldehyde

25. Nsc128405

26. 4-hydroxy-3, 5-dimethyl Benzaldehyde

27. Akos000104166

28. Cs-w007807

29. Hy-w007807

30. Ps-4139

31. Ncgc00335010-01

32. Bp-22343

33. Sy001837

34. 4-hydroxy-3,5-dimethylbenzaldehyde, 95%

35. Am20060554

36. Bb 0243140

37. Ft-0614670

38. H1023

39. En300-17665

40. Ab01105446-03

41. A816115

42. J-650153

43. W-107484

44. Z56978032

45. 2,5-dihydroxy-3-methyl-6-nonyl-1,4-benzoquinone;3,5-dimethyl-4-hydroxybenzaldehyde

46. Inchi=1/c9h10o2/c1-6-3-8(5-10)4-7(2)9(6)11/h3-5,11h,1-2h

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 150.17 g/mol
Molecular Formula C9H10O2
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area37.3
Heavy Atom Count11
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1