1-(4-phenylphenoxy)pyridin-1-ium

C17H14NO+ — CID 139731389

IUPAC1-(4-phenylphenoxy)pyridin-1-ium
SMILESc1ccc(-c2ccc(O[n+]3ccccc3)cc2)cc1
InChIInChI=1S/C17H14NO/c1-3-7-15(8-4-1)16-9-11-17(12-10-16)19-18-13-5-2-6-14-18/h1-14H/q+1
InChIKeyAHWQOYBNYLRTKC-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.48
Rot. Bonds3

About 1-(4-phenylphenoxy)pyridin-1-ium

1-(4-phenylphenoxy)pyridin-1-ium (PubChem CID 139731389) has the molecular formula C17H14NO+ and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(4-phenylphenoxy)pyridin-1-ium.

Molecular Properties

Compound Name1-(4-phenylphenoxy)pyridin-1-ium
PubChem CID139731389
Molecular FormulaC17H14NO+
Molecular Weight248.31 g/mol
Exact Mass248.11
IUPAC Name1-(4-phenylphenoxy)pyridin-1-ium
SMILESc1ccc(-c2ccc(O[n+]3ccccc3)cc2)cc1
InChIInChI=1S/C17H14NO/c1-3-7-15(8-4-1)16-9-11-17(12-10-16)19-18-13-5-2-6-14-18/h1-14H/q+1
InChIKeyAHWQOYBNYLRTKC-UHFFFAOYSA-N
XLogP3.48
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
benzene;tris(1,1'-biphenyl)
CID 162155747
1,2-bis(4-phenylphenoxy)benzene
CID 23083743
1,1'-biphenyl;toluene
CID 18366440
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2-azulen-2-yloxyisoquinolin-2-ium
CID 139739000
2-(4-methylphenoxy)isoquinolin-2-ium
CID 139740568
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,1'-biphenyl;sulfanylidenephosphanium
CID 161040824
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
1,1'-biphenyl;hydrofluoride
CID 67516975

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenoxy)pyridin-1-ium?
The IUPAC name of 1-(4-phenylphenoxy)pyridin-1-ium (CID 139731389) is 1-(4-phenylphenoxy)pyridin-1-ium.
What is the SMILES notation for 1-(4-phenylphenoxy)pyridin-1-ium?
The canonical SMILES for 1-(4-phenylphenoxy)pyridin-1-ium is c1ccc(-c2ccc(O[n+]3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-phenylphenoxy)pyridin-1-ium?
The InChIKey is AHWQOYBNYLRTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14NO/c1-3-7-15(8-4-1)16-9-11-17(12-10-16)19-18-13-5-2-6-14-18/h1-14H/q+1.
What are the key properties of 1-(4-phenylphenoxy)pyridin-1-ium?
1-(4-phenylphenoxy)pyridin-1-ium has a molecular weight of 248.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenoxy)pyridin-1-ium is sourced from PubChem (CID 139731389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).