2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol

C18H16NO+ — CID 91055292

IUPAC2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol
SMILESC[n+]1c(C=Cc2ccccc2O)ccc2ccccc21
InChIInChI=1S/C18H15NO/c1-19-16(12-10-14-6-2-4-8-17(14)19)13-11-15-7-3-5-9-18(15)20/h2-13H,1H3/p+1
InChIKeyOGVHJSXQRDAFBB-UHFFFAOYSA-O
MW262.33 g/mol
LogP3.54
Rot. Bonds2

About 2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol

2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol (PubChem CID 91055292) has the molecular formula C18H16NO+ and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol
PubChem CID91055292
Molecular FormulaC18H16NO+
Molecular Weight262.33 g/mol
Exact Mass262.12
IUPAC Name2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol
SMILESC[n+]1c(C=Cc2ccccc2O)ccc2ccccc21
InChIInChI=1S/C18H15NO/c1-19-16(12-10-14-6-2-4-8-17(14)19)13-11-15-7-3-5-9-18(15)20/h2-13H,1H3/p+1
InChIKeyOGVHJSXQRDAFBB-UHFFFAOYSA-O
XLogP3.54
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[2-[1-methyl-5-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]pyrrol-2-yl]ethenyl]quinolin-1-ium
CID 72508261
1-methyl-2-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]quinolin-1-ium
CID 89289948
2-[(E)-2-(1-decylquinolin-1-ium-2-yl)ethenyl]phenol
CID 87743068
2-[(E)-2-(1,3-dimethylpyrazol-4-yl)ethenyl]-1-methylquinolin-1-ium
CID 87742498
1-methyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]quinolin-1-ium
CID 54607794
2-methoxy-5-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol;iodide;hydrate
CID 139071916
1-methylquinolin-1-ium-2-carbaldehyde
CID 14454052
1-methyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]quinolin-1-ium iodide
CID 54607793
2-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-1-methylquinolin-1-ium
CID 56969497
2-[(E)-2-(5-chlorothiophen-2-yl)ethenyl]-1-methylquinolin-1-ium iodide
CID 56969496
2-[(E)-2-(1H-indol-2-yl)ethenyl]-1-methylquinolin-1-ium iodide
CID 118736720
2-ethyl-1-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl]butan-1-one
CID 67731349

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol?
The IUPAC name of 2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol (CID 91055292) is 2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol.
What is the SMILES notation for 2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol?
The canonical SMILES for 2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol is C[n+]1c(C=Cc2ccccc2O)ccc2ccccc21.
What is the InChIKey of 2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol?
The InChIKey is OGVHJSXQRDAFBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15NO/c1-19-16(12-10-14-6-2-4-8-17(14)19)13-11-15-7-3-5-9-18(15)20/h2-13H,1H3/p+1.
What are the key properties of 2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol?
2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol has a molecular weight of 262.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenol is sourced from PubChem (CID 91055292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).