5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine

C27H39NO — CID 18635623

IUPAC5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)cc2)nc1
InChIInChI=1S/C27H39NO/c1-3-5-6-20-29-26-18-19-27(28-21-26)25-16-14-24(15-17-25)13-12-23-10-8-22(7-4-2)9-11-23/h14-19,21-23H,3-13,20H2,1-2H3
InChIKeyVORLAZWCJAFMRE-UHFFFAOYSA-N
MW393.62 g/mol
LogP7.86
Rot. Bonds11

About 5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine

5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 18635623) has the molecular formula C27H39NO and a molecular weight of 393.62 g/mol. Its IUPAC name is 5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID18635623
Molecular FormulaC27H39NO
Molecular Weight393.62 g/mol
Exact Mass393.30
IUPAC Name5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)cc2)nc1
InChIInChI=1S/C27H39NO/c1-3-5-6-20-29-26-18-19-27(28-21-26)25-16-14-24(15-17-25)13-12-23-10-8-22(7-4-2)9-11-23/h14-19,21-23H,3-13,20H2,1-2H3
InChIKeyVORLAZWCJAFMRE-UHFFFAOYSA-N
XLogP7.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 57.86
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-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110
5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18638428
5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
CID 57294113
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 57010066
2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 57214361
5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839760
5-butoxy-2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]pyridine
CID 57318310
2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57108551
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 18609094

Frequently Asked Questions

What is the IUPAC name of 5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine (CID 18635623) is 5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine is CCCCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)cc2)nc1.
What is the InChIKey of 5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is VORLAZWCJAFMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO/c1-3-5-6-20-29-26-18-19-27(28-21-26)25-16-14-24(15-17-25)13-12-23-10-8-22(7-4-2)9-11-23/h14-19,21-23H,3-13,20H2,1-2H3.
What are the key properties of 5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine?
5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 393.62 g/mol, XLogP of 7.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 18635623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).