2-(4-phenylmethoxybutoxy)pyridine

C16H19NO2 — CID 23045271

IUPAC2-(4-phenylmethoxybutoxy)pyridine
SMILESc1ccc(COCCCCOc2ccccn2)cc1
InChIInChI=1S/C16H19NO2/c1-2-8-15(9-3-1)14-18-12-6-7-13-19-16-10-4-5-11-17-16/h1-5,8-11H,6-7,12-14H2
InChIKeyFXWAHIJILLWEOK-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.46
Rot. Bonds8

About 2-(4-phenylmethoxybutoxy)pyridine

2-(4-phenylmethoxybutoxy)pyridine (PubChem CID 23045271) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(4-phenylmethoxybutoxy)pyridine.

Molecular Properties

Compound Name2-(4-phenylmethoxybutoxy)pyridine
PubChem CID23045271
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-(4-phenylmethoxybutoxy)pyridine
SMILESc1ccc(COCCCCOc2ccccn2)cc1
InChIInChI=1S/C16H19NO2/c1-2-8-15(9-3-1)14-18-12-6-7-13-19-16-10-4-5-11-17-16/h1-5,8-11H,6-7,12-14H2
InChIKeyFXWAHIJILLWEOK-UHFFFAOYSA-N
XLogP3.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
7-pyridin-2-yloxyheptan-1-ol
CID 22675453
8-pyridin-2-yloxyoctan-1-ol
CID 22675460
6-pyridin-2-yloxyhexane-1-thiol
CID 91150264
2-(2-phenylmethoxyphenoxy)pyridine
CID 19835584
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
2-(pyridin-4-ylmethoxy)pyridine
CID 126954867
15-bromopentadecoxymethylbenzene
CID 11338468
trimethyl(11-phenylmethoxyundecyl)silane
CID 20775242
tridec-12-ynoxymethylbenzene
CID 87241604

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxybutoxy)pyridine?
The IUPAC name of 2-(4-phenylmethoxybutoxy)pyridine (CID 23045271) is 2-(4-phenylmethoxybutoxy)pyridine.
What is the SMILES notation for 2-(4-phenylmethoxybutoxy)pyridine?
The canonical SMILES for 2-(4-phenylmethoxybutoxy)pyridine is c1ccc(COCCCCOc2ccccn2)cc1.
What is the InChIKey of 2-(4-phenylmethoxybutoxy)pyridine?
The InChIKey is FXWAHIJILLWEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-8-15(9-3-1)14-18-12-6-7-13-19-16-10-4-5-11-17-16/h1-5,8-11H,6-7,12-14H2.
What are the key properties of 2-(4-phenylmethoxybutoxy)pyridine?
2-(4-phenylmethoxybutoxy)pyridine has a molecular weight of 257.33 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxybutoxy)pyridine is sourced from PubChem (CID 23045271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).