2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium

C15H18NO+ — CID 91247479

IUPAC2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium
SMILESCCc1ccc(OC)cc1-c1cccc[n+]1C
InChIInChI=1S/C15H18NO/c1-4-12-8-9-13(17-3)11-14(12)15-7-5-6-10-16(15)2/h5-11H,4H2,1-3H3/q+1
InChIKeyYDBCRVUDEXWWSQ-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.75
Rot. Bonds3

About 2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium

2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium (PubChem CID 91247479) has the molecular formula C15H18NO+ and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium
PubChem CID91247479
Molecular FormulaC15H18NO+
Molecular Weight228.31 g/mol
Exact Mass228.14
IUPAC Name2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium
SMILESCCc1ccc(OC)cc1-c1cccc[n+]1C
InChIInChI=1S/C15H18NO/c1-4-12-8-9-13(17-3)11-14(12)15-7-5-6-10-16(15)2/h5-11H,4H2,1-3H3/q+1
InChIKeyYDBCRVUDEXWWSQ-UHFFFAOYSA-N
XLogP2.75
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.75
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

2-(4-methoxyphenyl)-1-methylpyridin-1-ium iodide
CID 12957521
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
4-butyl-9,9-diethyl-14-fluoro-10-[4-methoxy-2-(1-methylpyridin-1-ium-2-yl)phenyl]-19,19-dimethyl-8-azoniapentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1(18),2,4,6,8(17),11(16),12,14-octaene
CID 123334442
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
2-(2-methoxy-3-phenylphenyl)-1-methylpyridin-1-ium
CID 170543584
N-[4-methoxy-2-[2-(1-methylpyridin-1-ium-2-yl)ethyl]phenyl]formamide
CID 20560023
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
butane;ethane;2-ethyl-4-methoxy-1-methylbenzene
CID 178178141
4-(methoxymethyl)-1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 169313124

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium?
The IUPAC name of 2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium (CID 91247479) is 2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium is CCc1ccc(OC)cc1-c1cccc[n+]1C.
What is the InChIKey of 2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium?
The InChIKey is YDBCRVUDEXWWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO/c1-4-12-8-9-13(17-3)11-14(12)15-7-5-6-10-16(15)2/h5-11H,4H2,1-3H3/q+1.
What are the key properties of 2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium?
2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium has a molecular weight of 228.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methoxyphenyl)-1-methylpyridin-1-ium is sourced from PubChem (CID 91247479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).