2,3,4,5-Tetramethoxytoluene

Synopsis, Chemistry

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Also known as: 35896-58-3, 1,2,3,4-tetramethoxy-5-methylbenzene, Benzene, 1,2,3,4-tetramethoxy-5-methyl-, 1,2,3,4-tetramethoxy-5-methyl-benzene, Schembl1243920, 2,3,4,5 tetramethoxy toluene

Molecular Formula

C₁₁H₁₆O₄

Molecular Weight

212.24 g/mol

InChI Key

OIWAVVSMXFIBCD-UHFFFAOYSA-N

1 2D Structure

2,3,4,5-Tetramethoxytoluene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2,3,4-tetramethoxy-5-methylbenzene

2.1.2 InChI

InChI=1S/C11H16O4/c1-7-6-8(12-2)10(14-4)11(15-5)9(7)13-3/h6H,1-5H3

2.1.3 InChI Key

OIWAVVSMXFIBCD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C(=C1OC)OC)OC)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 35896-58-3

2. 1,2,3,4-tetramethoxy-5-methylbenzene

3. Benzene, 1,2,3,4-tetramethoxy-5-methyl-

4. 1,2,3,4-tetramethoxy-5-methyl-benzene

5. Schembl1243920

6. 2,3,4,5 Tetramethoxy Toluene

7. 2,3,4,5-tetramethoxy Toluene

8. 2,3,4,5-tetramethoxy-toluene

9. Dtxsid90432199

10. Act00411

11. Amy17955

12. Mfcd07370118

13. Zinc14590475

14. Akos015889821

15. Ac-9037

16. Cs-w021271

17. 2,3,4,5-tetramethoxy-6-methylbenzene

18. 5-methyl-1,2,3,4-tetramethoxybenzene

19. As-12311

20. Db-019648

21. Ft-0639288

22. T2626

23. O10336

24. 896t583

25. A823024

26. 1,2,3,4-tetramethoxy-5-methyl-benzene;2,3,4,5-tetramethoxytoluene

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₆O₄
Molecular Weight	212.24 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	212.10485899 g/mol
Monoisotopic Mass	212.10485899 g/mol
Topological Polar Surface Area	36.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	185
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