4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide

C15H17INO+ — CID 126960038

IUPAC4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
SMILESCOc1ccc(C=Cc2cc[n+](C)cc2)cc1.I
InChIInChI=1S/C15H16NO.HI/c1-16-11-9-14(10-12-16)4-3-13-5-7-15(17-2)8-6-13;/h3-12H,1-2H3;1H/q+1;
InChIKeyVOBZRAJMAYTJPT-UHFFFAOYSA-N
MW354.21 g/mol
LogP3.31
Rot. Bonds3

About 4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide

4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide (PubChem CID 126960038) has the molecular formula C15H17INO+ and a molecular weight of 354.21 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
PubChem CID126960038
Molecular FormulaC15H17INO+
Molecular Weight354.21 g/mol
Exact Mass354.03
IUPAC Name4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
SMILESCOc1ccc(C=Cc2cc[n+](C)cc2)cc1.I
InChIInChI=1S/C15H16NO.HI/c1-16-11-9-14(10-12-16)4-3-13-5-7-15(17-2)8-6-13;/h3-12H,1-2H3;1H/q+1;
InChIKeyVOBZRAJMAYTJPT-UHFFFAOYSA-N
XLogP3.31
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
4-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1-methylpyridin-1-ium iodide
CID 171668959
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenyl] cyanate
CID 142891554
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole
CID 101351674
ethanamine;1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 159851450
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,4-dimethylpyridin-1-ium iodide
CID 164740738
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-methoxy-4-prop-1-enylbenzene
CID 67322568
N,N-bis(4-methoxyphenyl)-2-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]quinolin-6-amine iodide
CID 176897042

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide (CID 126960038) is 4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide is COc1ccc(C=Cc2cc[n+](C)cc2)cc1.I.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide?
The InChIKey is VOBZRAJMAYTJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO.HI/c1-16-11-9-14(10-12-16)4-3-13-5-7-15(17-2)8-6-13;/h3-12H,1-2H3;1H/q+1;.
What are the key properties of 4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide?
4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide has a molecular weight of 354.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide is sourced from PubChem (CID 126960038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).