2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine

C25H26FNO2 — CID 70475827

IUPAC2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine
SMILESCCOc1ccc(C(C)(C)CC=Cc2cccc(Oc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C25H26FNO2/c1-4-28-22-14-10-19(11-15-22)25(2,3)18-6-8-21-7-5-9-24(27-21)29-23-16-12-20(26)13-17-23/h5-17H,4,18H2,1-3H3
InChIKeyHWZUOFQHFLIRCU-UHFFFAOYSA-N
MW391.49 g/mol
LogP6.79
Rot. Bonds8

About 2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine

2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine (PubChem CID 70475827) has the molecular formula C25H26FNO2 and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine
PubChem CID70475827
Molecular FormulaC25H26FNO2
Molecular Weight391.49 g/mol
Exact Mass391.19
IUPAC Name2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine
SMILESCCOc1ccc(C(C)(C)CC=Cc2cccc(Oc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C25H26FNO2/c1-4-28-22-14-10-19(11-15-22)25(2,3)18-6-8-21-7-5-9-24(27-21)29-23-16-12-20(26)13-17-23/h5-17H,4,18H2,1-3H3
InChIKeyHWZUOFQHFLIRCU-UHFFFAOYSA-N
XLogP6.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine (CID 70475827) is 2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine is CCOc1ccc(C(C)(C)CC=Cc2cccc(Oc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine?
The InChIKey is HWZUOFQHFLIRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO2/c1-4-28-22-14-10-19(11-15-22)25(2,3)18-6-8-21-7-5-9-24(27-21)29-23-16-12-20(26)13-17-23/h5-17H,4,18H2,1-3H3.
What are the key properties of 2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine?
2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine has a molecular weight of 391.49 g/mol, XLogP of 6.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-4-methylpent-1-enyl]-6-(4-fluorophenoxy)pyridine is sourced from PubChem (CID 70475827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).