CAS 622-62-8

Chemistry

Chemistry

Also known as: 622-62-8, Phenol, 4-ethoxy-, P-ethoxyphenol, Hydroquinone monoethyl ether, P-hydroxyphenetole, 4-ethyloxyphenol

Molecular Formula

C₈H₁₀O₂

Molecular Weight

138.16 g/mol

InChI Key

LKVFCSWBKOVHAH-UHFFFAOYSA-N

FDA UNII

605352N8AQ

4-ethoxyphenol is a natural product found in Illicium verum with data available.

1 2D Structure

CAS 622-62-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-ethoxyphenol

2.1.2 InChI

InChI=1S/C8H10O2/c1-2-10-8-5-3-7(9)4-6-8/h3-6,9H,2H2,1H3

2.1.3 InChI Key

LKVFCSWBKOVHAH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=CC=C(C=C1)O

2.2 Other Identifiers

2.2.1 UNII

605352N8AQ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 622-62-8

2. Phenol, 4-ethoxy-

3. P-ethoxyphenol

4. Hydroquinone Monoethyl Ether

5. P-hydroxyphenetole

6. 4-ethyloxyphenol

7. Phenol, P-ethoxy-

8. 4-ethoxy-phenol

9. 1-ethoxy-4-hydroxybenzene

10. Ethoxyphenol, P-

11. Fema No. 3695

12. 4-ethoxyphenole

13. Para-ethoxyphenol

14. Nsc 9885

15. Ether Monoethylique De L'hydroquinone

16. Mfcd00002334

17. Hydroquinone Monoethylether

18. Nsc-9885

19. 605352n8aq

20. 4-ethoxyphenol, 99%

21. 4-hydroxyphenetole

22. 4-(ethyloxy)phenol

23. Einecs 210-748-1

24. Brn 1907114

25. P-ethoxylphenol

26. P-ethoxy-phenol

27. 4-ethoxy Phenol

28. Unii-605352n8aq

29. Ether Monoethylique De L'hydroquinone [french]

30. Hydroquinone Mono Ethyl Ether

31. Hydroquinone Ethyl Ether

32. Dsstox_cid_24251

33. Dsstox_rid_80134

34. Dsstox_gsid_44251

35. Schembl28520

36. 4-06-00-05719 (beilstein Handbook Reference)

37. Chembl225153

38. Dtxsid3044251

39. Fema 3695

40. Nsc9885

41. Chebi:179262

42. Zinc145734

43. 4-ethoxyphenol, Analytical Standard

44. Tox21_302684

45. Stk078066

46. Akos000120913

47. Cs-w016502

48. Ds-8026

49. Hy-w015786

50. Ncgc00256790-01

51. Cas-622-62-8

52. Sy015677

53. Hydroquinone Monoethyl Ether [fhfi]

54. Db-028862

55. E0216

56. Ft-0618388

57. A833686

58. W-105024

59. Q27263168

60. F0001-1662

61. Hydroquinone Monoethylether 100 Microg/ml In Acetonitrile

62. 29692-57-7

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀O₂
Molecular Weight	138.16 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	138.068079557 g/mol
Monoisotopic Mass	138.068079557 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	85.3
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

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

4-Ethoxyphenol has known human metabolites that include (2S,3S,4S,5R)-6-(4-ethoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

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

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