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Also known as: 623-05-2, 4-(hydroxymethyl)phenol, P-hydroxybenzyl alcohol, P-methylolphenol, 4-methylolphenol, 4-hydroxybenzenemethanol
Molecular Formula
C7H8O2
Molecular Weight
124.14  g/mol
InChI Key
BVJSUAQZOZWCKN-UHFFFAOYSA-N
FDA UNII
1A3AH1FP1B

CAS 623-05-2
gastrodigenin is a natural product found in Populus laurifolia, Mesua, and other organisms with data available.
1 2D Structure

CAS 623-05-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(hydroxymethyl)phenol
2.1.2 InChI
InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
2.1.3 InChI Key
BVJSUAQZOZWCKN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CO)O
2.2 Other Identifiers
2.2.1 UNII
1A3AH1FP1B
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4-(hydroxymethyl)phenol

2. 4-methylol Phenol

3. Gastrodigenin

4. P-hydroxybenzyl Alcohol

2.3.2 Depositor-Supplied Synonyms

1. 623-05-2

2. 4-(hydroxymethyl)phenol

3. P-hydroxybenzyl Alcohol

4. P-methylolphenol

5. 4-methylolphenol

6. 4-hydroxybenzenemethanol

7. Benzenemethanol, 4-hydroxy-

8. 4-hydroxybenzylalcohol

9. P-(hydroxymethyl)phenol

10. Benzyl Alcohol, P-hydroxy-

11. Gastrodigenin

12. Alpha-hydroxy-p-cresol

13. Parahydroxybenzyl Alcohol

14. .alpha.-hydroxy-p-cresol

15. Mfcd00004658

16. Para-hydroxybenzyl Alcohol

17. 1a3ah1fp1b

18. Chembl202132

19. Chebi:67410

20. Nsc-227926

21. 4-hydroxymethyl-phenol

22. Ccris 5114

23. P-hydroxy Benzyl Alcohol

24. Einecs 210-768-0

25. (4-hydroxyphenyl)methanol

26. Unii-1a3ah1fp1b

27. Nsc 227926

28. A-hydroxy-p-cresol

29. 4-hydroxymethylphenol

30. P-hydroxybenzyl Alcoho

31. 4-hydroxymethyl Phenol

32. 4-hydroxybenzyl-alcohol

33. 4-(hydroxymethyl)pheno

34. 4-hydroxy-benzylalcohol

35. 4-hydroxyphenyl Methanol

36. P-hydroxy-benzyl Alcohol

37. 4-hydroxyphenyl Carbinol

38. 4-hydroxy Benzyl Alcohol

39. 4-hydroxy-benzyl Alcohol

40. 4hba

41. B4-hydroxy-enzenemethanol

42. 4-hydroxyl-benzyl Alcohol

43. Bmse000623

44. Bmse010028

45. Ec 210-768-0

46. Schembl62690

47. 4-hydroxybenzyl Alcohol, 99%

48. Dtxsid8073920

49. Fema No. 3987

50. Hms3885o08

51. Zinc388762

52. Act01155

53. Bcp27109

54. Benzyl Alcohol, P-hydroxy- (8ci)

55. Hy-y0892

56. Str00674

57. Hydroxybenzyl Alcohol [inci]

58. Bdbm50177408

59. Benzenemethanol, 4-hydroxy- (9ci)

60. Nsc227926

61. S3857

62. Stl284640

63. Akos000121529

64. 4-hydroxybenzyl Alcohol [fhfi]

65. 4-hydroxybenzyl Alcohol, >=98%, Fg

66. Ccg-266090

67. Cs-w019891

68. Ps-3494

69. Ac-24727

70. Sy003753

71. 4-(hydroxymethyl)phenol (acd/name 4.0)

72. Db-003490

73. 4-hydroxybenzyl Alcohol, Analytical Standard

74. Am20050567

75. Ft-0618701

76. H0224

77. 23h052

78. A15709

79. C17467

80. C93495

81. Q-200481

82. Q5526828

83. F0001-1668

84. 4-(hydroxymethyl)phenol;p-hydroxybenzyl Alcohol;p-methylolphenol

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 124.14 g/mol
Molecular Formula C7H8O2
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass124.052429494 g/mol
Monoisotopic Mass124.052429494 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity75
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 Metabolism/Metabolites

4-Hydroxybenzyl alcohol is a known human metabolite of 4-Methylphenol.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560


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