4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine

C23H31NO — CID 12055704

IUPAC4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
SMILESCCCCCCCCCCOc1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C23H31NO/c1-2-3-4-5-6-7-8-9-20-25-23-14-12-21(13-15-23)10-11-22-16-18-24-19-17-22/h10-19H,2-9,20H2,1H3/b11-10+
InChIKeyDDFNFRXLHISJOR-ZHACJKMWSA-N
MW337.51 g/mol
LogP6.77
Rot. Bonds12

About 4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine

4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine (PubChem CID 12055704) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Name4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
PubChem CID12055704
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
SMILESCCCCCCCCCCOc1ccc(/C=C/c2ccncc2)cc1
InChIInChI=1S/C23H31NO/c1-2-3-4-5-6-7-8-9-20-25-23-14-12-21(13-15-23)10-11-22-16-18-24-19-17-22/h10-19H,2-9,20H2,1H3/b11-10+
InChIKeyDDFNFRXLHISJOR-ZHACJKMWSA-N
XLogP6.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-hexoxyphenyl)ethenyl]pyridine;pyridine
CID 69499097
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-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-[(E)-2-[9,10-didodecoxy-6-[(E)-2-pyridin-4-ylethenyl]anthracen-2-yl]ethenyl]pyridine
CID 132518574
1,2-bis[2-(4-pentadecoxyphenyl)ethenyl]benzene
CID 141172916
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
4-[6-[4-[(E)-2-pyridin-4-ylethenyl]phenoxy]hexoxy]benzoic acid
CID 102014240
1-hexoxy-4-[(E)-pent-1-enyl]benzene
CID 173201966
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine?
The IUPAC name of 4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine (CID 12055704) is 4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for 4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine?
The canonical SMILES for 4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine is CCCCCCCCCCOc1ccc(/C=C/c2ccncc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine?
The InChIKey is DDFNFRXLHISJOR-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-3-4-5-6-7-8-9-20-25-23-14-12-21(13-15-23)10-11-22-16-18-24-19-17-22/h10-19H,2-9,20H2,1H3/b11-10+.
What are the key properties of 4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine?
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine has a molecular weight of 337.51 g/mol, XLogP of 6.77, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 12055704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).