2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine

C26H30FNO — CID 19859168

IUPAC2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine
SMILESCCCCCCOc1ccc(-c2ccc(-c3ccc(CCC)cn3)cc2)c(F)c1
InChIInChI=1S/C26H30FNO/c1-3-5-6-7-17-29-23-14-15-24(25(27)18-23)21-10-12-22(13-11-21)26-16-9-20(8-4-2)19-28-26/h9-16,18-19H,3-8,17H2,1-2H3
InChIKeyAPUSJFLVOOMXLO-UHFFFAOYSA-N
MW391.53 g/mol
LogP7.47
Rot. Bonds10

About 2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine

2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine (PubChem CID 19859168) has the molecular formula C26H30FNO and a molecular weight of 391.53 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine
PubChem CID19859168
Molecular FormulaC26H30FNO
Molecular Weight391.53 g/mol
Exact Mass391.23
IUPAC Name2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine
SMILESCCCCCCOc1ccc(-c2ccc(-c3ccc(CCC)cn3)cc2)c(F)c1
InChIInChI=1S/C26H30FNO/c1-3-5-6-7-17-29-23-14-15-24(25(27)18-23)21-10-12-22(13-11-21)26-16-9-20(8-4-2)19-28-26/h9-16,18-19H,3-8,17H2,1-2H3
InChIKeyAPUSJFLVOOMXLO-UHFFFAOYSA-N
XLogP7.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.53
LogP ≤ 57.47
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-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-pentylpyridine
CID 19859496
2-[4-(2-fluoro-4-heptoxyphenyl)phenyl]-5-pentylpyridine;2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-hexylpyridine
CID 158808358
2-(2-fluoro-4-hexoxyphenyl)-5-propylpyridine
CID 19101298
2-(2-fluoro-4-octoxyphenyl)-5-propylpyridine
CID 19101199
2-(2-fluoro-4-hexoxyphenyl)-5-hexylpyridine
CID 19101204
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
CID 19859704
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-(4-butoxy-2-fluorophenyl)-5-butylpyridine
CID 19101153
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
5-butyl-2-(2-fluoro-4-propoxyphenyl)pyridine
CID 19101231
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
5-(4-fluorononyl)-2-(4-nonoxyphenyl)pyridine
CID 15702604

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine?
The IUPAC name of 2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine (CID 19859168) is 2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine.
What is the SMILES notation for 2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine?
The canonical SMILES for 2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine is CCCCCCOc1ccc(-c2ccc(-c3ccc(CCC)cn3)cc2)c(F)c1.
What is the InChIKey of 2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine?
The InChIKey is APUSJFLVOOMXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FNO/c1-3-5-6-7-17-29-23-14-15-24(25(27)18-23)21-10-12-22(13-11-21)26-16-9-20(8-4-2)19-28-26/h9-16,18-19H,3-8,17H2,1-2H3.
What are the key properties of 2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine?
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine has a molecular weight of 391.53 g/mol, XLogP of 7.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine is sourced from PubChem (CID 19859168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).