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

C26H29NO3 — CID 19959383

IUPAC4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine
SMILESCOc1ccc(C(Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1
InChIInChI=1S/C26H29NO3/c1-28-22-10-7-20(8-11-22)24(17-19-13-15-27-16-14-19)21-9-12-25(29-2)26(18-21)30-23-5-3-4-6-23/h7-16,18,23-24H,3-6,17H2,1-2H3
InChIKeyQNXJEVYAPFFBLL-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.79
Rot. Bonds8

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

4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine (PubChem CID 19959383) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine
PubChem CID19959383
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine
SMILESCOc1ccc(C(Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1
InChIInChI=1S/C26H29NO3/c1-28-22-10-7-20(8-11-22)24(17-19-13-15-27-16-14-19)21-9-12-25(29-2)26(18-21)30-23-5-3-4-6-23/h7-16,18,23-24H,3-6,17H2,1-2H3
InChIKeyQNXJEVYAPFFBLL-UHFFFAOYSA-N
XLogP5.79
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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PF-07038124
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4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
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CT 1730; GR 259653X
CID 89809670
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine?
The IUPAC name of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine (CID 19959383) is 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine?
The canonical SMILES for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine is COc1ccc(C(Cc2ccncc2)c2ccc(OC)c(OC3CCCC3)c2)cc1.
What is the InChIKey of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine?
The InChIKey is QNXJEVYAPFFBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-28-22-10-7-20(8-11-22)24(17-19-13-15-27-16-14-19)21-9-12-25(29-2)26(18-21)30-23-5-3-4-6-23/h7-16,18,23-24H,3-6,17H2,1-2H3.
What are the key properties of 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine?
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine has a molecular weight of 403.52 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(4-methoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 19959383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).