4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine

C25H26FNO2 — CID 19959346

IUPAC4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine
SMILESCOc1ccc(C(Cc2ccncc2)c2ccc(F)cc2)cc1OC1CCCC1
InChIInChI=1S/C25H26FNO2/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-27-15-13-18)19-6-9-21(26)10-7-19/h6-15,17,22-23H,2-5,16H2,1H3
InChIKeyVAXQFJNXCAANMH-UHFFFAOYSA-N
MW391.49 g/mol
LogP5.93
Rot. Bonds7

About 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine

4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine (PubChem CID 19959346) has the molecular formula C25H26FNO2 and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine
PubChem CID19959346
Molecular FormulaC25H26FNO2
Molecular Weight391.49 g/mol
Exact Mass391.19
IUPAC Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine
SMILESCOc1ccc(C(Cc2ccncc2)c2ccc(F)cc2)cc1OC1CCCC1
InChIInChI=1S/C25H26FNO2/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-27-15-13-18)19-6-9-21(26)10-7-19/h6-15,17,22-23H,2-5,16H2,1H3
InChIKeyVAXQFJNXCAANMH-UHFFFAOYSA-N
XLogP5.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.49
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine?
The IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine (CID 19959346) is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine?
The canonical SMILES for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine is COc1ccc(C(Cc2ccncc2)c2ccc(F)cc2)cc1OC1CCCC1.
What is the InChIKey of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine?
The InChIKey is VAXQFJNXCAANMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO2/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-27-15-13-18)19-6-9-21(26)10-7-19/h6-15,17,22-23H,2-5,16H2,1H3.
What are the key properties of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine?
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine has a molecular weight of 391.49 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-fluorophenyl)ethyl]pyridine is sourced from PubChem (CID 19959346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).