1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide

C18H16INO — CID 10340262

IUPAC1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide
SMILESC[n+]1ccc(Oc2cccc(-c3ccccc3)c2)cc1.[I-]
InChIInChI=1S/C18H16NO.HI/c1-19-12-10-17(11-13-19)20-18-9-5-8-16(14-18)15-6-3-2-4-7-15;/h2-14H,1H3;1H/q+1;/p-1
InChIKeyPOYLTFFSQJJTDT-UHFFFAOYSA-M
MW389.24 g/mol
LogP0.97
Rot. Bonds3

About 1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide

1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide (PubChem CID 10340262) has the molecular formula C18H16INO and a molecular weight of 389.24 g/mol. Its IUPAC name is 1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide
PubChem CID10340262
Molecular FormulaC18H16INO
Molecular Weight389.24 g/mol
Exact Mass389.03
IUPAC Name1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide
SMILESC[n+]1ccc(Oc2cccc(-c3ccccc3)c2)cc1.[I-]
InChIInChI=1S/C18H16NO.HI/c1-19-12-10-17(11-13-19)20-18-9-5-8-16(14-18)15-6-3-2-4-7-15;/h2-14H,1H3;1H/q+1;/p-1
InChIKeyPOYLTFFSQJJTDT-UHFFFAOYSA-M
XLogP0.97
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
1-methyl-4-(3-nitrophenoxy)pyridin-1-ium
CID 10247796
1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene
CID 160906545
1-methyl-3-[3-(3-phenoxyphenyl)phenyl]benzene
CID 134391841
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474
1-(2-methylpropyl)-4-(3-phenylphenoxy)benzene
CID 90895465
2-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050379
3-[4-[3-(3-aminophenoxy)phenyl]phenoxy]aniline
CID 18381163
N,N-dimethyl-3-(4-phenoxyphenyl)aniline
CID 57177626
2-(2-phenoxyphenoxy)-1-[2-(2-phenoxyphenoxy)-4-[3-(3-phenoxyphenoxy)phenyl]phenoxy]-4-[3-(3-phenoxyphenoxy)phenyl]benzene
CID 57186867
4-(3-phenylphenoxy)-2-propan-2-ylphenol
CID 21466339
9-(3-phenylphenoxy)anthracene
CID 86096458

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide?
The IUPAC name of 1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide (CID 10340262) is 1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide.
What is the SMILES notation for 1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide?
The canonical SMILES for 1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide is C[n+]1ccc(Oc2cccc(-c3ccccc3)c2)cc1.[I-].
What is the InChIKey of 1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide?
The InChIKey is POYLTFFSQJJTDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16NO.HI/c1-19-12-10-17(11-13-19)20-18-9-5-8-16(14-18)15-6-3-2-4-7-15;/h2-14H,1H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide?
1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide has a molecular weight of 389.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-phenylphenoxy)pyridin-1-ium iodide is sourced from PubChem (CID 10340262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).