2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium

C14H16NO2+ — CID 852380

IUPAC2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium
SMILESCOc1ccc(OCc2cccc[n+]2C)cc1
InChIInChI=1S/C14H16NO2/c1-15-10-4-3-5-12(15)11-17-14-8-6-13(16-2)7-9-14/h3-10H,11H2,1-2H3/q+1
InChIKeyPRUOVQXJQQYXSP-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.10
Rot. Bonds4

About 2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium

2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium (PubChem CID 852380) has the molecular formula C14H16NO2+ and a molecular weight of 230.29 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium
PubChem CID852380
Molecular FormulaC14H16NO2+
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium
SMILESCOc1ccc(OCc2cccc[n+]2C)cc1
InChIInChI=1S/C14H16NO2/c1-15-10-4-3-5-12(15)11-17-14-8-6-13(16-2)7-9-14/h3-10H,11H2,1-2H3/q+1
InChIKeyPRUOVQXJQQYXSP-UHFFFAOYSA-N
XLogP2.10
TPSA22.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
4-methylbenzenesulfonate;1-methyl-2-(phenoxymethyl)pyridin-1-ium
CID 146109823
2-(4-methoxyphenyl)-1-methylpyridin-1-ium iodide
CID 12957521
2-[(4-methoxyphenyl)methylsulfanyl]-1-methylpyridin-1-ium chloride
CID 13434923
1-methyl-2-[3-(1-methylpyridin-1-ium-2-yl)propyl]pyridin-1-ium
CID 58017438
N-[4-methoxy-2-[2-(1-methylpyridin-1-ium-2-yl)ethyl]phenyl]formamide
CID 20560023
2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-methyl-2-[[(1-methylpyridin-1-ium-2-yl)methyldisulfanyl]methyl]pyridin-1-ium diiodide
CID 172728060
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
(4-methoxyphenyl)methyl hypobromite
CID 166766888
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium (CID 852380) is 2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium is COc1ccc(OCc2cccc[n+]2C)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium?
The InChIKey is PRUOVQXJQQYXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO2/c1-15-10-4-3-5-12(15)11-17-14-8-6-13(16-2)7-9-14/h3-10H,11H2,1-2H3/q+1.
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium?
2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium has a molecular weight of 230.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-1-methylpyridin-1-ium is sourced from PubChem (CID 852380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).