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

C15H17NO4S — CID 1475674

IUPAC2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine
SMILESCOc1ccc(Oc2nc(C)cc(C)c2S(C)(=O)=O)cc1
InChIInChI=1S/C15H17NO4S/c1-10-9-11(2)16-15(14(10)21(4,17)18)20-13-7-5-12(19-3)6-8-13/h5-9H,1-4H3
InChIKeyCWSWRRUTAJLONR-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.90
Rot. Bonds4

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

2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine (PubChem CID 1475674) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine
PubChem CID1475674
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine
SMILESCOc1ccc(Oc2nc(C)cc(C)c2S(C)(=O)=O)cc1
InChIInChI=1S/C15H17NO4S/c1-10-9-11(2)16-15(14(10)21(4,17)18)20-13-7-5-12(19-3)6-8-13/h5-9H,1-4H3
InChIKeyCWSWRRUTAJLONR-UHFFFAOYSA-N
XLogP2.90
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine?
The IUPAC name of 2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine (CID 1475674) is 2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine.
What is the SMILES notation for 2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine?
The canonical SMILES for 2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine is COc1ccc(Oc2nc(C)cc(C)c2S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine?
The InChIKey is CWSWRRUTAJLONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10-9-11(2)16-15(14(10)21(4,17)18)20-13-7-5-12(19-3)6-8-13/h5-9H,1-4H3.
What are the key properties of 2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine?
2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine has a molecular weight of 307.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-4,6-dimethyl-3-methylsulfonylpyridine is sourced from PubChem (CID 1475674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).