2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine

C16H15NO — CID 87145440

IUPAC2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine
SMILESCOc1ccc(/C=C/C=C/c2ccccn2)cc1
InChIInChI=1S/C16H15NO/c1-18-16-11-9-14(10-12-16)6-2-3-7-15-8-4-5-13-17-15/h2-13H,1H3/b6-2+,7-3+
InChIKeyJBQCTYOYVYMCGJ-YPCIICBESA-N
MW237.30 g/mol
LogP3.82
Rot. Bonds4

About 2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine

2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine (PubChem CID 87145440) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine.

Molecular Properties

Compound Name2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine
PubChem CID87145440
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine
SMILESCOc1ccc(/C=C/C=C/c2ccccn2)cc1
InChIInChI=1S/C16H15NO/c1-18-16-11-9-14(10-12-16)6-2-3-7-15-8-4-5-13-17-15/h2-13H,1H3/b6-2+,7-3+
InChIKeyJBQCTYOYVYMCGJ-YPCIICBESA-N
XLogP3.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
2-(4-naphthalen-2-ylbuta-1,3-dienyl)pyridine
CID 90870778
1,2-bis[(1E)-4-(4-methoxyphenyl)buta-1,3-dienyl]benzene
CID 53491376
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
CID 92532273
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(1E,3E)-4-chlorobuta-1,3-dienyl]-4-methoxybenzene
CID 101396307
[(E)-2-(4-methoxyphenyl)ethenyl]-dimethyl-pyrimidin-2-ylsilane
CID 101268711
3-[2-(4-methoxyphenyl)ethenyl]pyridazine
CID 71344424
2-[(E)-2-(2-methoxyphenyl)ethenyl]pyridine
CID 127035001
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
(2E)-5-pyridin-2-ylpenta-2,4-dienal
CID 87959329
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine?
The IUPAC name of 2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine (CID 87145440) is 2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine.
What is the SMILES notation for 2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine?
The canonical SMILES for 2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine is COc1ccc(/C=C/C=C/c2ccccn2)cc1.
What is the InChIKey of 2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine?
The InChIKey is JBQCTYOYVYMCGJ-YPCIICBESA-N. The full InChI is InChI=1S/C16H15NO/c1-18-16-11-9-14(10-12-16)6-2-3-7-15-8-4-5-13-17-15/h2-13H,1H3/b6-2+,7-3+.
What are the key properties of 2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine?
2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine has a molecular weight of 237.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine is sourced from PubChem (CID 87145440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).