4-(5-phenoxypentyl)pyridine

C16H19NO — CID 117060417

IUPAC4-(5-phenoxypentyl)pyridine
SMILESc1ccc(OCCCCCc2ccncc2)cc1
InChIInChI=1S/C16H19NO/c1-4-8-16(9-5-1)18-14-6-2-3-7-15-10-12-17-13-11-15/h1,4-5,8-13H,2-3,6-7,14H2
InChIKeyIOCQRZQETKGKMY-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.87
Rot. Bonds7

About 4-(5-phenoxypentyl)pyridine

4-(5-phenoxypentyl)pyridine (PubChem CID 117060417) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(5-phenoxypentyl)pyridine.

Molecular Properties

Compound Name4-(5-phenoxypentyl)pyridine
PubChem CID117060417
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(5-phenoxypentyl)pyridine
SMILESc1ccc(OCCCCCc2ccncc2)cc1
InChIInChI=1S/C16H19NO/c1-4-8-16(9-5-1)18-14-6-2-3-7-15-10-12-17-13-11-15/h1,4-5,8-13H,2-3,6-7,14H2
InChIKeyIOCQRZQETKGKMY-UHFFFAOYSA-N
XLogP3.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(6-phenoxyhexyl)benzene
CID 86175301
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
1-(bromomethyl)-4-(5-phenoxypentyl)benzene
CID 14576783
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
1-(4-phenoxybutyl)-4-(trifluoromethyl)benzene
CID 91038022
(4-dodecoxyphenyl)-[4-(6-pyridin-4-ylhexoxy)phenyl]diazene
CID 86093178
2-(5-phenoxypentyl)pyridine;hydrochloride
CID 117067687
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
1-hexyl-4-(6-phenylhexoxy)benzene
CID 91256527
[4-(5-phenoxypentyl)phenyl]methyl-triphenylphosphanium
CID 19755661
4-(5-phenoxy-1-phenylpentyl)pyridine
CID 117067769

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenoxypentyl)pyridine?
The IUPAC name of 4-(5-phenoxypentyl)pyridine (CID 117060417) is 4-(5-phenoxypentyl)pyridine.
What is the SMILES notation for 4-(5-phenoxypentyl)pyridine?
The canonical SMILES for 4-(5-phenoxypentyl)pyridine is c1ccc(OCCCCCc2ccncc2)cc1.
What is the InChIKey of 4-(5-phenoxypentyl)pyridine?
The InChIKey is IOCQRZQETKGKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-4-8-16(9-5-1)18-14-6-2-3-7-15-10-12-17-13-11-15/h1,4-5,8-13H,2-3,6-7,14H2.
What are the key properties of 4-(5-phenoxypentyl)pyridine?
4-(5-phenoxypentyl)pyridine has a molecular weight of 241.33 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenoxypentyl)pyridine is sourced from PubChem (CID 117060417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).