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Trimethyl Phloroglucinol

Trimethyl Phloroglucinol

Synopsis, Chemistry

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1 KDMF

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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

Trimethyl Phloroglucinol

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 Formula	C₉H₁₂O₃
Molecular Weight	168.19 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	168.078644241 g/mol
Monoisotopic Mass	168.078644241 g/mol
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	113
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 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.)