1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium

C22H24NO+ — CID 168892691

IUPAC1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium
SMILESCOc1ccc(-c2cc(C)[n+](-c3c(C)cccc3C)c(C)c2)cc1
InChIInChI=1S/C22H24NO/c1-15-7-6-8-16(2)22(15)23-17(3)13-20(14-18(23)4)19-9-11-21(24-5)12-10-19/h6-14H,1-5H3/q+1
InChIKeyPCSPDSLBBOMQDJ-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.87
Rot. Bonds3

About 1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium

1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium (PubChem CID 168892691) has the molecular formula C22H24NO+ and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium
PubChem CID168892691
Molecular FormulaC22H24NO+
Molecular Weight318.44 g/mol
Exact Mass318.19
IUPAC Name1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium
SMILESCOc1ccc(-c2cc(C)[n+](-c3c(C)cccc3C)c(C)c2)cc1
InChIInChI=1S/C22H24NO/c1-15-7-6-8-16(2)22(15)23-17(3)13-20(14-18(23)4)19-9-11-21(24-5)12-10-19/h6-14H,1-5H3/q+1
InChIKeyPCSPDSLBBOMQDJ-UHFFFAOYSA-N
XLogP4.87
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-methoxyphenyl)-1,2,3-trimethylbenzene
CID 132540116
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1,6-dimethylpyridin-1-ium
CID 154594189
2,6,9,10-tetrakis(4-methoxyphenyl)anthracene
CID 139177810
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611
1,3-difluoro-5-(4-methoxyphenyl)-2-(4-methylphenyl)benzene
CID 121356402
2-(4-methoxyphenyl)-6-methylaniline
CID 172649945
2,4,6-tris[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine
CID 20652062

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium?
The IUPAC name of 1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium (CID 168892691) is 1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium?
The canonical SMILES for 1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium is COc1ccc(-c2cc(C)[n+](-c3c(C)cccc3C)c(C)c2)cc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium?
The InChIKey is PCSPDSLBBOMQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO/c1-15-7-6-8-16(2)22(15)23-17(3)13-20(14-18(23)4)19-9-11-21(24-5)12-10-19/h6-14H,1-5H3/q+1.
What are the key properties of 1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium?
1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium has a molecular weight of 318.44 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-4-(4-methoxyphenyl)-2,6-dimethylpyridin-1-ium is sourced from PubChem (CID 168892691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).