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

C25H27NO2 — CID 19959348

IUPAC3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine
SMILESCOc1ccc(C(Cc2cccnc2)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C25H27NO2/c1-27-24-14-13-21(17-25(24)28-22-11-5-6-12-22)23(20-9-3-2-4-10-20)16-19-8-7-15-26-18-19/h2-4,7-10,13-15,17-18,22-23H,5-6,11-12,16H2,1H3
InChIKeyGSTBLRBCBAOMLM-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.79
Rot. Bonds7

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

3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine (PubChem CID 19959348) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine.

Molecular Properties

Compound Name3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine
PubChem CID19959348
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine
SMILESCOc1ccc(C(Cc2cccnc2)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C25H27NO2/c1-27-24-14-13-21(17-25(24)28-22-11-5-6-12-22)23(20-9-3-2-4-10-20)16-19-8-7-15-26-18-19/h2-4,7-10,13-15,17-18,22-23H,5-6,11-12,16H2,1H3
InChIKeyGSTBLRBCBAOMLM-UHFFFAOYSA-N
XLogP5.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine?
The IUPAC name of 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine (CID 19959348) is 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine.
What is the SMILES notation for 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine?
The canonical SMILES for 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine is COc1ccc(C(Cc2cccnc2)c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine?
The InChIKey is GSTBLRBCBAOMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-27-24-14-13-21(17-25(24)28-22-11-5-6-12-22)23(20-9-3-2-4-10-20)16-19-8-7-15-26-18-19/h2-4,7-10,13-15,17-18,22-23H,5-6,11-12,16H2,1H3.
What are the key properties of 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine?
3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine has a molecular weight of 373.50 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]pyridine is sourced from PubChem (CID 19959348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).