1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol

C22H24NO3+ — CID 23245665

IUPAC1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol
SMILESCC(O)c1c(OCc2ccccc2)c(OCc2ccccc2)cc[n+]1C
InChIInChI=1S/C22H24NO3/c1-17(24)21-22(26-16-19-11-7-4-8-12-19)20(13-14-23(21)2)25-15-18-9-5-3-6-10-18/h3-14,17,24H,15-16H2,1-2H3/q+1
InChIKeyWJGBNDZNFHAEJJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.72
Rot. Bonds7

About 1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol

1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol (PubChem CID 23245665) has the molecular formula C22H24NO3+ and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol
PubChem CID23245665
Molecular FormulaC22H24NO3+
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol
SMILESCC(O)c1c(OCc2ccccc2)c(OCc2ccccc2)cc[n+]1C
InChIInChI=1S/C22H24NO3/c1-17(24)21-22(26-16-19-11-7-4-8-12-19)20(13-14-23(21)2)25-15-18-9-5-3-6-10-18/h3-14,17,24H,15-16H2,1-2H3/q+1
InChIKeyWJGBNDZNFHAEJJ-UHFFFAOYSA-N
XLogP3.72
TPSA42.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.72
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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Related Compounds

1-(2-phenylmethoxy-3-propan-2-ylphenyl)ethanol
CID 170547313
1-(4,6-dimethyl-5-phenylmethoxy-3-pyridinyl)ethanol
CID 15619962
(1R)-1-(5-bromo-2-phenylmethoxyphenyl)ethanol
CID 78932268
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-(3-fluoro-4-phenylmethoxyphenyl)ethanol
CID 115582207
1-hydroxy-2,3-dimethyl-4-phenylmethoxypyridin-1-ium
CID 152985239
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
1-(2-phenylmethoxynaphthalen-1-yl)propan-1-ol
CID 163598537
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
benzyl 3-hydroxybutanoate
CID 562226
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol?
The IUPAC name of 1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol (CID 23245665) is 1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol.
What is the SMILES notation for 1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol?
The canonical SMILES for 1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol is CC(O)c1c(OCc2ccccc2)c(OCc2ccccc2)cc[n+]1C.
What is the InChIKey of 1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol?
The InChIKey is WJGBNDZNFHAEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NO3/c1-17(24)21-22(26-16-19-11-7-4-8-12-19)20(13-14-23(21)2)25-15-18-9-5-3-6-10-18/h3-14,17,24H,15-16H2,1-2H3/q+1.
What are the key properties of 1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol?
1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol has a molecular weight of 350.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3,4-bis(phenylmethoxy)pyridin-1-ium-2-yl]ethanol is sourced from PubChem (CID 23245665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).