2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol

C18H16NO+ — CID 22983418

IUPAC2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol
SMILESCc1cc[n+](-c2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C18H15NO/c1-14-9-11-19(12-10-14)17-13-16(7-8-18(17)20)15-5-3-2-4-6-15/h2-13H,1H3/p+1
InChIKeyLZXJXLWMMXOBMV-UHFFFAOYSA-O
MW262.33 g/mol
LogP3.64
Rot. Bonds2

About 2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol

2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol (PubChem CID 22983418) has the molecular formula C18H16NO+ and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol.

Molecular Properties

Compound Name2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol
PubChem CID22983418
Molecular FormulaC18H16NO+
Molecular Weight262.33 g/mol
Exact Mass262.12
IUPAC Name2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol
SMILESCc1cc[n+](-c2cc(-c3ccccc3)ccc2O)cc1
InChIInChI=1S/C18H15NO/c1-14-9-11-19(12-10-14)17-13-16(7-8-18(17)20)15-5-3-2-4-6-15/h2-13H,1H3/p+1
InChIKeyLZXJXLWMMXOBMV-UHFFFAOYSA-O
XLogP3.64
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 ≤ 53.64
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

2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
1,1'-biphenyl;toluene
CID 18366440
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736
2-[3-(4-methylphenyl)phenyl]phenol
CID 123237634
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
4-(3-methylphenyl)benzene-1,2-diol
CID 101298846

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol?
The IUPAC name of 2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol (CID 22983418) is 2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol.
What is the SMILES notation for 2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol?
The canonical SMILES for 2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol is Cc1cc[n+](-c2cc(-c3ccccc3)ccc2O)cc1.
What is the InChIKey of 2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol?
The InChIKey is LZXJXLWMMXOBMV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15NO/c1-14-9-11-19(12-10-14)17-13-16(7-8-18(17)20)15-5-3-2-4-6-15/h2-13H,1H3/p+1.
What are the key properties of 2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol?
2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol has a molecular weight of 262.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyridin-1-ium-1-yl)-4-phenylphenol is sourced from PubChem (CID 22983418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).