2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine

C20H17NO — CID 135025720

IUPAC2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine
SMILESCOc1ccc(-c2cccc(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C20H17NO/c1-22-19-14-11-17(12-15-19)20-9-5-8-18(21-20)13-10-16-6-3-2-4-7-16/h2-15H,1H3/b13-10+
InChIKeyGIGGIZROPPVIGC-JLHYYAGUSA-N
MW287.36 g/mol
LogP4.93
Rot. Bonds4

About 2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine

2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine (PubChem CID 135025720) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine
PubChem CID135025720
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine
SMILESCOc1ccc(-c2cccc(/C=C/c3ccccc3)n2)cc1
InChIInChI=1S/C20H17NO/c1-22-19-14-11-17(12-15-19)20-9-5-8-18(21-20)13-10-16-6-3-2-4-7-16/h2-15H,1H3/b13-10+
InChIKeyGIGGIZROPPVIGC-JLHYYAGUSA-N
XLogP4.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine (CID 135025720) is 2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine is COc1ccc(-c2cccc(/C=C/c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine?
The InChIKey is GIGGIZROPPVIGC-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H17NO/c1-22-19-14-11-17(12-15-19)20-9-5-8-18(21-20)13-10-16-6-3-2-4-7-16/h2-15H,1H3/b13-10+.
What are the key properties of 2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine?
2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine has a molecular weight of 287.36 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-[(E)-2-phenylethenyl]pyridine is sourced from PubChem (CID 135025720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).