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

C20H17NO — CID 122218067

IUPAC3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
SMILESCOc1ccc(/C(=C/c2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C20H17NO/c1-22-19-11-9-18(10-12-19)20(17-7-3-2-4-8-17)14-16-6-5-13-21-15-16/h2-15H,1H3/b20-14+
InChIKeyKMNYUYGWWGCEEE-XSFVSMFZSA-N
MW287.36 g/mol
LogP4.68
Rot. Bonds4

About 3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine

3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine (PubChem CID 122218067) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
PubChem CID122218067
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
SMILESCOc1ccc(/C(=C/c2cccnc2)c2ccccc2)cc1
InChIInChI=1S/C20H17NO/c1-22-19-11-9-18(10-12-19)20(17-7-3-2-4-8-17)14-16-6-5-13-21-15-16/h2-15H,1H3/b20-14+
InChIKeyKMNYUYGWWGCEEE-XSFVSMFZSA-N
XLogP4.68
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 ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
CID 134965441
1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 162409717
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride
CID 177475963
3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
CID 141385895
(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine
CID 101384779
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
CID 102492010
(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956223
1-[2-chloro-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]but-2-enyl]-4-methoxybenzene;1,2-diphenylethenylbenzene
CID 159192069
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine?
The IUPAC name of 3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine (CID 122218067) is 3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine is COc1ccc(/C(=C/c2cccnc2)c2ccccc2)cc1.
What is the InChIKey of 3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine?
The InChIKey is KMNYUYGWWGCEEE-XSFVSMFZSA-N. The full InChI is InChI=1S/C20H17NO/c1-22-19-11-9-18(10-12-19)20(17-7-3-2-4-8-17)14-16-6-5-13-21-15-16/h2-15H,1H3/b20-14+.
What are the key properties of 3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine?
3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine has a molecular weight of 287.36 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine is sourced from PubChem (CID 122218067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).