4-[2-(4-benzylphenoxy)ethyl]pyridine

C20H19NO — CID 44818625

IUPAC4-[2-(4-benzylphenoxy)ethyl]pyridine
SMILESc1ccc(Cc2ccc(OCCc3ccncc3)cc2)cc1
InChIInChI=1S/C20H19NO/c1-2-4-18(5-3-1)16-19-6-8-20(9-7-19)22-15-12-17-10-13-21-14-11-17/h1-11,13-14H,12,15-16H2
InChIKeyPHONRHOSBJCBIH-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.29
Rot. Bonds6

About 4-[2-(4-benzylphenoxy)ethyl]pyridine

4-[2-(4-benzylphenoxy)ethyl]pyridine (PubChem CID 44818625) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[2-(4-benzylphenoxy)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(4-benzylphenoxy)ethyl]pyridine
PubChem CID44818625
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name4-[2-(4-benzylphenoxy)ethyl]pyridine
SMILESc1ccc(Cc2ccc(OCCc3ccncc3)cc2)cc1
InChIInChI=1S/C20H19NO/c1-2-4-18(5-3-1)16-19-6-8-20(9-7-19)22-15-12-17-10-13-21-14-11-17/h1-11,13-14H,12,15-16H2
InChIKeyPHONRHOSBJCBIH-UHFFFAOYSA-N
XLogP4.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylphenoxy)ethyl]pyridine?
The IUPAC name of 4-[2-(4-benzylphenoxy)ethyl]pyridine (CID 44818625) is 4-[2-(4-benzylphenoxy)ethyl]pyridine.
What is the SMILES notation for 4-[2-(4-benzylphenoxy)ethyl]pyridine?
The canonical SMILES for 4-[2-(4-benzylphenoxy)ethyl]pyridine is c1ccc(Cc2ccc(OCCc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[2-(4-benzylphenoxy)ethyl]pyridine?
The InChIKey is PHONRHOSBJCBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-2-4-18(5-3-1)16-19-6-8-20(9-7-19)22-15-12-17-10-13-21-14-11-17/h1-11,13-14H,12,15-16H2.
What are the key properties of 4-[2-(4-benzylphenoxy)ethyl]pyridine?
4-[2-(4-benzylphenoxy)ethyl]pyridine has a molecular weight of 289.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylphenoxy)ethyl]pyridine is sourced from PubChem (CID 44818625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).