2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride

C15H18ClNO2 — CID 11948758

IUPAC2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride
SMILESCOc1ccc(CCc2[nH+]c(C)ccc2O)cc1.[Cl-]
InChIInChI=1S/C15H17NO2.ClH/c1-11-3-10-15(17)14(16-11)9-6-12-4-7-13(18-2)8-5-12;/h3-5,7-8,10,17H,6,9H2,1-2H3;1H
InChIKeyLFFGODHVAMWFJB-UHFFFAOYSA-N
MW279.77 g/mol
LogP-0.69
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride

2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride (PubChem CID 11948758) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride
PubChem CID11948758
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride
SMILESCOc1ccc(CCc2[nH+]c(C)ccc2O)cc1.[Cl-]
InChIInChI=1S/C15H17NO2.ClH/c1-11-3-10-15(17)14(16-11)9-6-12-4-7-13(18-2)8-5-12;/h3-5,7-8,10,17H,6,9H2,1-2H3;1H
InChIKeyLFFGODHVAMWFJB-UHFFFAOYSA-N
XLogP-0.69
TPSA43.60 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride (CID 11948758) is 2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride is COc1ccc(CCc2[nH+]c(C)ccc2O)cc1.[Cl-].
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride?
The InChIKey is LFFGODHVAMWFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2.ClH/c1-11-3-10-15(17)14(16-11)9-6-12-4-7-13(18-2)8-5-12;/h3-5,7-8,10,17H,6,9H2,1-2H3;1H.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride?
2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride has a molecular weight of 279.77 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridin-1-ium-3-ol chloride is sourced from PubChem (CID 11948758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).