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Also known as: 2050-46-6, O-diethoxybenzene, Catechol diethyl ether, Benzene, 1,2-diethoxy-, Benzene, o-diethoxy-, Benzene, diethoxy-

Molecular Formula

C₁₀H₁₄O₂

Molecular Weight

166.22 g/mol

InChI Key

QZYDOKBVZJLQCK-UHFFFAOYSA-N

FDA UNII

P9DM5T78PZ

1 2D Structure

1,2-Diethoxybenzene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2-diethoxybenzene

2.1.2 InChI

InChI=1S/C10H14O2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3

2.1.3 InChI Key

QZYDOKBVZJLQCK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=CC=CC=C1OCC

2.2 Other Identifiers

2.2.1 UNII

P9DM5T78PZ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2050-46-6

2. O-diethoxybenzene

3. Catechol Diethyl Ether

4. Benzene, 1,2-diethoxy-

5. Benzene, O-diethoxy-

6. Benzene, Diethoxy-

7. O-diethoxy Benzene

8. P9dm5t78pz

9. Nsc-6189

10. Mfcd00015143

11. Nsc 6189

12. Einecs 218-089-1

13. Pyrocatechol Diethyl Ether

14. Unii-p9dm5t78pz

15. Brn 2046149

16. Diethoxybenzene

17. Ai3-24177

18. Nsc6189

19. Benzene,2-diethoxy-

20. Ec 218-089-1

21. Dsstox_cid_18798

22. Dsstox_rid_79395

23. Dsstox_gsid_38798

24. 4-06-00-05565 (beilstein Handbook Reference)

25. Schembl578986

26. Chembl2252466

27. Dtxsid6038798

28. Zinc394528

29. Act07586

30. Tox21_302095

31. Ac7914

32. Akos000120622

33. Ncgc00255490-01

34. Ds-17939

35. Sy047589

36. Cas-2050-46-6

37. Db-045249

38. Cs-0151454

39. D0452

40. Ft-0606392

41. 050d466

42. A814613

43. J-503817

44. Q27286413

45. 9h-xanthene-9-propanoicacid, A-amino-a-[(1s,2s)-2-carboxycyclopropyl]-,(as)-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₄O₂
Molecular Weight	166.22 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	166.099379685 g/mol
Monoisotopic Mass	166.099379685 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	100
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

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