2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide

C15H16INO2 — CID 14260711

IUPAC2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide
SMILESCOc1cc(/C=C/c2cccc[n+]2C)ccc1O.[I-]
InChIInChI=1S/C15H15NO2.HI/c1-16-10-4-3-5-13(16)8-6-12-7-9-14(17)15(11-12)18-2;/h3-11H,1-2H3;1H
InChIKeyCVYKMAXKFNULAS-UHFFFAOYSA-N
MW369.20 g/mol
LogP-0.60
Rot. Bonds3

About 2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide

2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide (PubChem CID 14260711) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide.

Molecular Properties

Compound Name2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide
PubChem CID14260711
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide
SMILESCOc1cc(/C=C/c2cccc[n+]2C)ccc1O.[I-]
InChIInChI=1S/C15H15NO2.HI/c1-16-10-4-3-5-13(16)8-6-12-7-9-14(17)15(11-12)18-2;/h3-11H,1-2H3;1H
InChIKeyCVYKMAXKFNULAS-UHFFFAOYSA-N
XLogP-0.60
TPSA33.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-ethoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
CID 6489963
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium
CID 10970233
1-methyl-2-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium iodide
CID 54612482
4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide
CID 126960791
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium
CID 3410175
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-ethylpyridin-1-ium iodide
CID 45049537
4-bromo-2-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide
CID 24761569
2-[2-(3,4-dimethoxyphenyl)ethenyl]-1-ethylpyridin-1-ium
CID 5105203
3,6-bis[2-(1-methylpyridin-1-ium-2-yl)ethenyl]-9H-carbazole
CID 68576558
2-methoxy-5-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]phenol;iodide;hydrate
CID 139071802

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide?
The IUPAC name of 2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide (CID 14260711) is 2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide.
What is the SMILES notation for 2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide?
The canonical SMILES for 2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide is COc1cc(/C=C/c2cccc[n+]2C)ccc1O.[I-].
What is the InChIKey of 2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide?
The InChIKey is CVYKMAXKFNULAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2.HI/c1-16-10-4-3-5-13(16)8-6-12-7-9-14(17)15(11-12)18-2;/h3-11H,1-2H3;1H.
What are the key properties of 2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide?
2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide has a molecular weight of 369.20 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide is sourced from PubChem (CID 14260711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).