o-Ethoxyphenol

Synopsis, Chemistry

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Also known as: 94-71-3, Guaethol, O-ethoxyphenol, Guethol, Phenol, 2-ethoxy-, 2-ethyloxyphenol

Molecular Formula

C₈H₁₀O₂

Molecular Weight

138.16 g/mol

InChI Key

MOEFFSWKSMRFRQ-UHFFFAOYSA-N

FDA UNII

878IW8P9PW

1 2D Structure

o-Ethoxyphenol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-ethoxyphenol

2.1.2 InChI

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

2.1.3 InChI Key

MOEFFSWKSMRFRQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=CC=CC=C1O

2.2 Other Identifiers

2.2.1 UNII

878IW8P9PW

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Guaethol

2.3.2 Depositor-Supplied Synonyms

1. 94-71-3

2. Guaethol

3. O-ethoxyphenol

4. Guethol

5. Phenol, 2-ethoxy-

6. 2-ethyloxyphenol

7. Pyrocatechol Monoethyl Ether

8. Catechol Monoethyl Ether

9. Guaiethol

10. Phenol, O-ethoxy-

11. 1-hydroxy-2-ethoxybenzene

12. Nsc 1809

13. Mfcd00002187

14. 878iw8p9pw

15. Nsc-1809

16. Unii-878iw8p9pw

17. 2-ethoxylphenol

18. O-ethoxy Phenol

19. 2-ethoxy Phenol

20. 2-ethoxy-phenol

21. Einecs 202-358-5

22. 2-ethoxyphenol, 98%

23. 1,2-benzenediol,ethyl-

24. Guethol [who-dd]

25. Ec 202-358-5

26. Dsstox_cid_22276

27. Dsstox_rid_79985

28. Dsstox_gsid_42276

29. Schembl28519

30. Chembl225436

31. Dtxsid2042276

32. Amy9408

33. Nsc1809

34. Chebi:141701

35. Zinc404747

36. Tox21_301383

37. Akos000120135

38. Gs-3119

39. Cas-94-71-3

40. Ncgc00255986-01

41. Db-021026

42. Cs-0040351

43. E0230

44. Ft-0612218

45. Ft-0668106

46. D72674

47. W-100188

48. Q21547070

49. Z1262253012

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₀O₂
Molecular Weight	138.16 g/mol
XLogP3	1.7
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	93.3
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