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2D Structure
Also known as: 4463-03-0, 2,4,6-trimethylbenzene-1,3,5-triol, Trimethylphloroglucin, 2,4,6-trimethyl-1,3,5-benzenetriol, 2,4,6-trimethylphloroglucinol, Trimethyl phloroglucino
Molecular Formula
C9H12O3
Molecular Weight
168.19  g/mol
InChI Key
MNBSXKSWDLYJHN-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,4,6-trimethylbenzene-1,3,5-triol
2.1.2 InChI
InChI=1S/C9H12O3/c1-4-7(10)5(2)9(12)6(3)8(4)11/h10-12H,1-3H3
2.1.3 InChI Key
MNBSXKSWDLYJHN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=C(C(=C1O)C)O)C)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 1,3,5-trimethoxybenzene

2.2.2 Depositor-Supplied Synonyms

1. 4463-03-0

2. 2,4,6-trimethylbenzene-1,3,5-triol

3. Trimethylphloroglucin

4. 2,4,6-trimethyl-1,3,5-benzenetriol

5. 2,4,6-trimethylphloroglucinol

6. Trimethyl Phloroglucino

7. Schembl320898

8. Trimethylbenzene-1,3,5-triol

9. Dtxsid80196258

10. Zinc3650253

11. Ft-0675631

12. A936958

2.3 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 168.19 g/mol
Molecular Formula C9H12O3
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass168.078644241 g/mol
Monoisotopic Mass168.078644241 g/mol
Topological Polar Surface Area60.7 Ų
Heavy Atom Count12
Formal Charge0
Complexity113
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 MeSH Pharmacological Classification

Parasympatholytics

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)