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

C14H14NO+ — CID 5339483

IUPAC4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
SMILESC[n+]1ccccc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C14H13NO/c1-15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12/h2-11H,1H3/p+1
InChIKeyWLHKMTNVCBYKQU-UHFFFAOYSA-O
MW212.27 g/mol
LogP2.39
Rot. Bonds2

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

4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol (PubChem CID 5339483) has the molecular formula C14H14NO+ and a molecular weight of 212.27 g/mol. Its IUPAC name is 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
PubChem CID5339483
Molecular FormulaC14H14NO+
Molecular Weight212.27 g/mol
Exact Mass212.11
IUPAC Name4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
SMILESC[n+]1ccccc1/C=C/c1ccc(O)cc1
InChIInChI=1S/C14H13NO/c1-15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12/h2-11H,1H3/p+1
InChIKeyWLHKMTNVCBYKQU-UHFFFAOYSA-O
XLogP2.39
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol;hydroiodide
CID 126960791
2-methoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide
CID 14260711
2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960250
2-ethoxy-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol
CID 6489963
3,6-bis[2-(1-methylpyridin-1-ium-2-yl)ethenyl]-9H-carbazole
CID 68576558
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
N,N,2-trimethyl-4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline
CID 10523796
2-[(E)-2-(3-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium
CID 10970233
N,N-dimethyl-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline
CID 102504283
2-[(E)-2-[4-(2,2-diethoxyethoxy)phenyl]ethenyl]-1-methylpyridin-1-ium
CID 20532551
4-bromo-2-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol iodide
CID 24761569

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol?
The IUPAC name of 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol (CID 5339483) is 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol is C[n+]1ccccc1/C=C/c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol?
The InChIKey is WLHKMTNVCBYKQU-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13NO/c1-15-11-3-2-4-13(15)8-5-12-6-9-14(16)10-7-12/h2-11H,1H3/p+1.
What are the key properties of 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol?
4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol has a molecular weight of 212.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]phenol is sourced from PubChem (CID 5339483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).