4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine

C24H21NO — CID 175567936

IUPAC4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine
SMILESc1ccc(COc2ccc3ccccc3c2CCc2ccncc2)cc1
InChIInChI=1S/C24H21NO/c1-2-6-20(7-3-1)18-26-24-13-11-21-8-4-5-9-22(21)23(24)12-10-19-14-16-25-17-15-19/h1-9,11,13-17H,10,12,18H2
InChIKeyCNQJNXDABFWKNR-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.60
Rot. Bonds6

About 4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine

4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine (PubChem CID 175567936) has the molecular formula C24H21NO and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine
PubChem CID175567936
Molecular FormulaC24H21NO
Molecular Weight339.44 g/mol
Exact Mass339.16
IUPAC Name4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine
SMILESc1ccc(COc2ccc3ccccc3c2CCc2ccncc2)cc1
InChIInChI=1S/C24H21NO/c1-2-6-20(7-3-1)18-26-24-13-11-21-8-4-5-9-22(21)23(24)12-10-19-14-16-25-17-15-19/h1-9,11,13-17H,10,12,18H2
InChIKeyCNQJNXDABFWKNR-UHFFFAOYSA-N
XLogP5.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine?
The IUPAC name of 4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine (CID 175567936) is 4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine.
What is the SMILES notation for 4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine?
The canonical SMILES for 4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine is c1ccc(COc2ccc3ccccc3c2CCc2ccncc2)cc1.
What is the InChIKey of 4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine?
The InChIKey is CNQJNXDABFWKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO/c1-2-6-20(7-3-1)18-26-24-13-11-21-8-4-5-9-22(21)23(24)12-10-19-14-16-25-17-15-19/h1-9,11,13-17H,10,12,18H2.
What are the key properties of 4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine?
4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine has a molecular weight of 339.44 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-phenylmethoxynaphthalen-1-yl)ethyl]pyridine is sourced from PubChem (CID 175567936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).