4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine

C24H28N2O — CID 69499097

IUPAC4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine
SMILESCCCCCCOc1ccc(C=Cc2ccncc2)cc1.c1ccncc1
InChIInChI=1S/C19H23NO.C5H5N/c1-2-3-4-5-16-21-19-10-8-17(9-11-19)6-7-18-12-14-20-15-13-18;1-2-4-6-5-3-1/h6-15H,2-5,16H2,1H3;1-5H
InChIKeyMHLMWXIWGKGEGI-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.29
Rot. Bonds8

About 4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine

4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine (PubChem CID 69499097) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine.

Molecular Properties

Compound Name4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine
PubChem CID69499097
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine
SMILESCCCCCCOc1ccc(C=Cc2ccncc2)cc1.c1ccncc1
InChIInChI=1S/C19H23NO.C5H5N/c1-2-3-4-5-16-21-19-10-8-17(9-11-19)6-7-18-12-14-20-15-13-18;1-2-4-6-5-3-1/h6-15H,2-5,16H2,1H3;1-5H
InChIKeyMHLMWXIWGKGEGI-UHFFFAOYSA-N
XLogP6.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704
1-hexoxy-4-[(E)-2-[4-[(E)-2-[4-[4-[(E)-2-[4-[(E)-2-(4-hexoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101334756
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
3,6-bis[(E)-2-(4-octadecoxyphenyl)ethenyl]pyridazine
CID 102406567
4-pentoxypyridine
CID 23560340
4-[6-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]hexoxy]benzoic acid
CID 102014240
9,10-bis[(E)-2-(4-heptoxyphenyl)ethenyl]anthracene
CID 102099512
4-[(E)-2-[9,10-didodecoxy-6-[(E)-2-pyridin-4-ylethenyl]anthracen-2-yl]ethenyl]pyridine
CID 132518574
4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[2,5-dioctoxy-4-[(Z)-2-pyridin-4-ylethenyl]phenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]-2,5-dioctoxyphenyl]ethenyl]pyridine
CID 177480609
4-[(E)-2-[4-[2-[2-[2-[2-[2-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyridine
CID 102398908
1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine?
The IUPAC name of 4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine (CID 69499097) is 4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine.
What is the SMILES notation for 4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine?
The canonical SMILES for 4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine is CCCCCCOc1ccc(C=Cc2ccncc2)cc1.c1ccncc1.
What is the InChIKey of 4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine?
The InChIKey is MHLMWXIWGKGEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO.C5H5N/c1-2-3-4-5-16-21-19-10-8-17(9-11-19)6-7-18-12-14-20-15-13-18;1-2-4-6-5-3-1/h6-15H,2-5,16H2,1H3;1-5H.
What are the key properties of 4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine?
4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine has a molecular weight of 360.50 g/mol, XLogP of 6.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine is sourced from PubChem (CID 69499097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).