2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine

C32H49NO — CID 19083523

IUPAC2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
SMILESCCCCCCCCc1ccc(-c2ccc(OCCCCCCCCC3CCCC3)cc2)nc1
InChIInChI=1S/C32H49NO/c1-2-3-4-5-8-12-19-29-20-25-32(33-27-29)30-21-23-31(24-22-30)34-26-15-10-7-6-9-11-16-28-17-13-14-18-28/h20-25,27-28H,2-19,26H2,1H3
InChIKeyABZKTHUINIIFMI-UHFFFAOYSA-N
MW463.75 g/mol
LogP9.95
Rot. Bonds18

About 2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine

2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine (PubChem CID 19083523) has the molecular formula C32H49NO and a molecular weight of 463.75 g/mol. Its IUPAC name is 2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine.

Molecular Properties

Compound Name2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
PubChem CID19083523
Molecular FormulaC32H49NO
Molecular Weight463.75 g/mol
Exact Mass463.38
IUPAC Name2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
SMILESCCCCCCCCc1ccc(-c2ccc(OCCCCCCCCC3CCCC3)cc2)nc1
InChIInChI=1S/C32H49NO/c1-2-3-4-5-8-12-19-29-20-25-32(33-27-29)30-21-23-31(24-22-30)34-26-15-10-7-6-9-11-16-28-17-13-14-18-28/h20-25,27-28H,2-19,26H2,1H3
InChIKeyABZKTHUINIIFMI-UHFFFAOYSA-N
XLogP9.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.75
LogP ≤ 59.95
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-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
5-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine
CID 57192381
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine?
The IUPAC name of 2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine (CID 19083523) is 2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine.
What is the SMILES notation for 2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine?
The canonical SMILES for 2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine is CCCCCCCCc1ccc(-c2ccc(OCCCCCCCCC3CCCC3)cc2)nc1.
What is the InChIKey of 2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine?
The InChIKey is ABZKTHUINIIFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49NO/c1-2-3-4-5-8-12-19-29-20-25-32(33-27-29)30-21-23-31(24-22-30)34-26-15-10-7-6-9-11-16-28-17-13-14-18-28/h20-25,27-28H,2-19,26H2,1H3.
What are the key properties of 2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine?
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine has a molecular weight of 463.75 g/mol, XLogP of 9.95, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine is sourced from PubChem (CID 19083523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).