3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine

C23H21NO2 — CID 53315540

IUPAC3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
SMILESCOc1ccccc1/C=C/c1cncc(/C=C/c2ccccc2OC)c1
InChIInChI=1S/C23H21NO2/c1-25-22-9-5-3-7-20(22)13-11-18-15-19(17-24-16-18)12-14-21-8-4-6-10-23(21)26-2/h3-17H,1-2H3/b13-11+,14-12+
InChIKeyIYYHMSXGEHNUDH-PHEQNACWSA-N
MW343.43 g/mol
LogP5.44
Rot. Bonds6

About 3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine

3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine (PubChem CID 53315540) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
PubChem CID53315540
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
SMILESCOc1ccccc1/C=C/c1cncc(/C=C/c2ccccc2OC)c1
InChIInChI=1S/C23H21NO2/c1-25-22-9-5-3-7-20(22)13-11-18-15-19(17-24-16-18)12-14-21-8-4-6-10-23(21)26-2/h3-17H,1-2H3/b13-11+,14-12+
InChIKeyIYYHMSXGEHNUDH-PHEQNACWSA-N
XLogP5.44
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-[(E)-2-(2-methoxyphenyl)ethenyl]benzene
CID 139240530
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
1-(2-fluoroethenyl)-2-methoxybenzene
CID 134862998
2-[2-(2-methoxyphenyl)ethenyl]-3,5,6-trimethylpyrazine
CID 141144702
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate
CID 52987343
1-[(E)-3,3-dimethylbut-1-enyl]-2-methoxybenzene
CID 10375267
1-[(1E,3E)-4-bromobuta-1,3-dienyl]-2-methoxybenzene
CID 177481549
2-[2-(2-methoxyphenyl)ethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
CID 3302589
2-[(E)-2-(2-methoxyphenyl)ethenyl]-1,3-thiazole
CID 67827143
(E)-3-(2-methoxyphenyl)prop-2-en-1-ol
CID 11400969
1-[(Z)-2-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-2,4-dimethoxybenzene
CID 171376648
1-(3,3-dichloroprop-1-enyl)-2-methoxybenzene
CID 118255170

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine?
The IUPAC name of 3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine (CID 53315540) is 3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for 3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine?
The canonical SMILES for 3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine is COc1ccccc1/C=C/c1cncc(/C=C/c2ccccc2OC)c1.
What is the InChIKey of 3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine?
The InChIKey is IYYHMSXGEHNUDH-PHEQNACWSA-N. The full InChI is InChI=1S/C23H21NO2/c1-25-22-9-5-3-7-20(22)13-11-18-15-19(17-24-16-18)12-14-21-8-4-6-10-23(21)26-2/h3-17H,1-2H3/b13-11+,14-12+.
What are the key properties of 3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine?
3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine has a molecular weight of 343.43 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[(E)-2-(2-methoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 53315540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).