2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium

C16H20NO+ — CID 167365603

IUPAC2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium
SMILESCOCc1ccc(C)c(-c2ccc(C)c[n+]2C)c1
InChIInChI=1S/C16H20NO/c1-12-5-8-16(17(3)10-12)15-9-14(11-18-4)7-6-13(15)2/h5-10H,11H2,1-4H3/q+1
InChIKeyLHVLMBBZSSOSIP-UHFFFAOYSA-N
MW242.34 g/mol
LogP2.94
Rot. Bonds3

About 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium

2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium (PubChem CID 167365603) has the molecular formula C16H20NO+ and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium
PubChem CID167365603
Molecular FormulaC16H20NO+
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium
SMILESCOCc1ccc(C)c(-c2ccc(C)c[n+]2C)c1
InChIInChI=1S/C16H20NO/c1-12-5-8-16(17(3)10-12)15-9-14(11-18-4)7-6-13(15)2/h5-10H,11H2,1-4H3/q+1
InChIKeyLHVLMBBZSSOSIP-UHFFFAOYSA-N
XLogP2.94
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dimethyl-2-[2-methyl-5-(2-phenylpropan-2-yl)phenyl]pyridin-1-ium
CID 167365808
2-(2,5-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,6-dimethylphenyl)-1,5-dimethylpyridin-1-ium;2-(2,5-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium;2-(2,6-dimethylphenyl)-1-methyl-5-(trideuteriomethyl)pyridin-1-ium
CID 162184943
2-(1,1,2,2,3,3,6-heptamethylinden-5-yl)-1,5-dimethylpyridin-1-ium
CID 177075003
trimethyl-[1-methyl-6-[2-methyl-5-(2-methylpropyl)phenyl]pyridin-1-ium-3-yl]silane
CID 158022992
2-(4-tert-butyl-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 123976026
2-methoxy-4-(methoxymethyl)-1-methylbenzene
CID 91136887
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
2-(5-tert-butyl-4-fluoro-2-methylphenyl)-1,5-dimethylpyridin-1-ium
CID 167365672
1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium
CID 140920519
ethane;6-(methoxymethyl)-1,4-dimethylnaphthalene
CID 144628843
2-[3-(1,5-dimethylpyridin-1-ium-2-yl)-2,4,6-trimethylphenyl]-1,5-dimethylpyridin-1-ium
CID 140944282

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium?
The IUPAC name of 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium (CID 167365603) is 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium.
What is the SMILES notation for 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium?
The canonical SMILES for 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium is COCc1ccc(C)c(-c2ccc(C)c[n+]2C)c1.
What is the InChIKey of 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium?
The InChIKey is LHVLMBBZSSOSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NO/c1-12-5-8-16(17(3)10-12)15-9-14(11-18-4)7-6-13(15)2/h5-10H,11H2,1-4H3/q+1.
What are the key properties of 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium?
2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium has a molecular weight of 242.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-2-methylphenyl]-1,5-dimethylpyridin-1-ium is sourced from PubChem (CID 167365603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).