4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine

C15H17NO3S — CID 1475675

IUPAC4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine
SMILESCc1cc(C)c(S(C)(=O)=O)c(Oc2ccccc2C)n1
InChIInChI=1S/C15H17NO3S/c1-10-7-5-6-8-13(10)19-15-14(20(4,17)18)11(2)9-12(3)16-15/h5-9H,1-4H3
InChIKeySQXWQXQRWUJUCV-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.20
Rot. Bonds3

About 4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine

4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine (PubChem CID 1475675) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine
PubChem CID1475675
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine
SMILESCc1cc(C)c(S(C)(=O)=O)c(Oc2ccccc2C)n1
InChIInChI=1S/C15H17NO3S/c1-10-7-5-6-8-13(10)19-15-14(20(4,17)18)11(2)9-12(3)16-15/h5-9H,1-4H3
InChIKeySQXWQXQRWUJUCV-UHFFFAOYSA-N
XLogP3.20
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine?
The IUPAC name of 4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine (CID 1475675) is 4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine.
What is the SMILES notation for 4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine?
The canonical SMILES for 4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine is Cc1cc(C)c(S(C)(=O)=O)c(Oc2ccccc2C)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine?
The InChIKey is SQXWQXQRWUJUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-10-7-5-6-8-13(10)19-15-14(20(4,17)18)11(2)9-12(3)16-15/h5-9H,1-4H3.
What are the key properties of 4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine?
4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine has a molecular weight of 291.37 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-methylphenoxy)-3-methylsulfonylpyridine is sourced from PubChem (CID 1475675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).