2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine

C20H25NO — CID 3341850

IUPAC2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine
SMILESCCCCOc1ccc(C=Cc2ccc(CCC)cn2)cc1
InChIInChI=1S/C20H25NO/c1-3-5-15-22-20-13-9-17(10-14-20)7-11-19-12-8-18(6-4-2)16-21-19/h7-14,16H,3-6,15H2,1-2H3
InChIKeyCMJVIJSPIPEIEX-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.38
Rot. Bonds8

About 2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine

2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine (PubChem CID 3341850) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine.

Molecular Properties

Compound Name2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine
PubChem CID3341850
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine
SMILESCCCCOc1ccc(C=Cc2ccc(CCC)cn2)cc1
InChIInChI=1S/C20H25NO/c1-3-5-15-22-20-13-9-17(10-14-20)7-11-19-12-8-18(6-4-2)16-21-19/h7-14,16H,3-6,15H2,1-2H3
InChIKeyCMJVIJSPIPEIEX-UHFFFAOYSA-N
XLogP5.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.38
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

2-[(E)-2-(4-heptoxyphenyl)ethenyl]-5-heptylpyridine
CID 6184347
3,6-bis[(E)-2-(4-octadecoxyphenyl)ethenyl]pyridazine
CID 102406567
ethoxy-[[6-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-3-pyridinyl]methyl]phosphinic acid
CID 101010649
2-prop-1-enyl-5-propylpyridine
CID 54200611
1-nonoxy-4-propylbenzene
CID 118632119
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-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
4-[(E)-2-(4-decoxyphenyl)ethenyl]pyridine
CID 12055704
5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine
CID 54046063
2-[2-(4-dodecoxyphenyl)ethenyl]quinoline
CID 54189264
1-hexoxy-4-[(E)-2-(4-methylphenyl)ethenyl]benzene
CID 163706306
1-butoxy-4-[(1E,5E)-6-(4-ethylphenyl)hexa-1,5-dien-3-ynyl]benzene
CID 19043960

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine?
The IUPAC name of 2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine (CID 3341850) is 2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine.
What is the SMILES notation for 2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine?
The canonical SMILES for 2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine is CCCCOc1ccc(C=Cc2ccc(CCC)cn2)cc1.
What is the InChIKey of 2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine?
The InChIKey is CMJVIJSPIPEIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-3-5-15-22-20-13-9-17(10-14-20)7-11-19-12-8-18(6-4-2)16-21-19/h7-14,16H,3-6,15H2,1-2H3.
What are the key properties of 2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine?
2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine has a molecular weight of 295.43 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butoxyphenyl)ethenyl]-5-propylpyridine is sourced from PubChem (CID 3341850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).