5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine

C20H17NO — CID 175646915

IUPAC5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine
SMILESC=Cc1ccc(-c2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C20H17NO/c1-2-16-8-13-20(21-14-16)18-9-11-19(12-10-18)22-15-17-6-4-3-5-7-17/h2-14H,1,15H2
InChIKeyYMYJMKIOWJNYOI-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.97
Rot. Bonds5

About 5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine

5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine (PubChem CID 175646915) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine.

Molecular Properties

Compound Name5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine
PubChem CID175646915
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine
SMILESC=Cc1ccc(-c2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C20H17NO/c1-2-16-8-13-20(21-14-16)18-9-11-19(12-10-18)22-15-17-6-4-3-5-7-17/h2-14H,1,15H2
InChIKeyYMYJMKIOWJNYOI-UHFFFAOYSA-N
XLogP4.97
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine?
The IUPAC name of 5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine (CID 175646915) is 5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine.
What is the SMILES notation for 5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine?
The canonical SMILES for 5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine is C=Cc1ccc(-c2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of 5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine?
The InChIKey is YMYJMKIOWJNYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-2-16-8-13-20(21-14-16)18-9-11-19(12-10-18)22-15-17-6-4-3-5-7-17/h2-14H,1,15H2.
What are the key properties of 5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine?
5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine has a molecular weight of 287.36 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine is sourced from PubChem (CID 175646915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).