4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium

C15H14NO2+ — CID 23312199

IUPAC4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium
SMILESCOc1ccc2cc(-c3cc[n+](C)cc3)oc2c1
InChIInChI=1S/C15H14NO2/c1-16-7-5-11(6-8-16)14-9-12-3-4-13(17-2)10-15(12)18-14/h3-10H,1-2H3/q+1
InChIKeyJPXMJFCEXSSSLA-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.93
Rot. Bonds2

About 4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium

4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium (PubChem CID 23312199) has the molecular formula C15H14NO2+ and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium
PubChem CID23312199
Molecular FormulaC15H14NO2+
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium
SMILESCOc1ccc2cc(-c3cc[n+](C)cc3)oc2c1
InChIInChI=1S/C15H14NO2/c1-16-7-5-11(6-8-16)14-9-12-3-4-13(17-2)10-15(12)18-14/h3-10H,1-2H3/q+1
InChIKeyJPXMJFCEXSSSLA-UHFFFAOYSA-N
XLogP2.93
TPSA26.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.93
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

4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium iodide
CID 23312198
4-(6-chloro-1-benzofuran-2-yl)-1-methylpyridin-1-ium iodide
CID 23312255
2-(4-methoxyphenyl)-1-benzofuran-6-ol
CID 14887928
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
5-(6-methoxy-1-benzofuran-2-yl)-1,2-oxazol-4-amine
CID 115109592
2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
CID 641806
methanesulfonate;4-(6-methoxynaphthalen-2-yl)-1-methylpyridin-1-ium
CID 10712545
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
2-(4-methoxyphenyl)-5-phenyl-1-benzofuran
CID 66549379
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium?
The IUPAC name of 4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium (CID 23312199) is 4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium.
What is the SMILES notation for 4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium?
The canonical SMILES for 4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium is COc1ccc2cc(-c3cc[n+](C)cc3)oc2c1.
What is the InChIKey of 4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium?
The InChIKey is JPXMJFCEXSSSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14NO2/c1-16-7-5-11(6-8-16)14-9-12-3-4-13(17-2)10-15(12)18-14/h3-10H,1-2H3/q+1.
What are the key properties of 4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium?
4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium has a molecular weight of 240.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1-benzofuran-2-yl)-1-methylpyridin-1-ium is sourced from PubChem (CID 23312199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).