2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol

C24H28NO3+ — CID 1107544

IUPAC2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol
SMILESCCOc1ccc(-c2cc(C)[n+](CCO)c(-c3ccc(OCC)cc3)c2)cc1
InChIInChI=1S/C24H28NO3/c1-4-27-22-10-6-19(7-11-22)21-16-18(3)25(14-15-26)24(17-21)20-8-12-23(13-9-20)28-5-2/h6-13,16-17,26H,4-5,14-15H2,1-3H3/q+1
InChIKeyKUKDJPBYVDDYDY-UHFFFAOYSA-N
MW378.49 g/mol
LogP4.41
Rot. Bonds8

About 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol

2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol (PubChem CID 1107544) has the molecular formula C24H28NO3+ and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol.

Molecular Properties

Compound Name2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol
PubChem CID1107544
Molecular FormulaC24H28NO3+
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol
SMILESCCOc1ccc(-c2cc(C)[n+](CCO)c(-c3ccc(OCC)cc3)c2)cc1
InChIInChI=1S/C24H28NO3/c1-4-27-22-10-6-19(7-11-22)21-16-18(3)25(14-15-26)24(17-21)20-8-12-23(13-9-20)28-5-2/h6-13,16-17,26H,4-5,14-15H2,1-3H3/q+1
InChIKeyKUKDJPBYVDDYDY-UHFFFAOYSA-N
XLogP4.41
TPSA42.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol?
The IUPAC name of 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol (CID 1107544) is 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol.
What is the SMILES notation for 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol?
The canonical SMILES for 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol is CCOc1ccc(-c2cc(C)[n+](CCO)c(-c3ccc(OCC)cc3)c2)cc1.
What is the InChIKey of 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol?
The InChIKey is KUKDJPBYVDDYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28NO3/c1-4-27-22-10-6-19(7-11-22)21-16-18(3)25(14-15-26)24(17-21)20-8-12-23(13-9-20)28-5-2/h6-13,16-17,26H,4-5,14-15H2,1-3H3/q+1.
What are the key properties of 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol?
2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol has a molecular weight of 378.49 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(4-ethoxyphenyl)-6-methylpyridin-1-ium-1-yl]ethanol is sourced from PubChem (CID 1107544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).