5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine

C26H37NO — CID 57294113

IUPAC5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCOc1ccc(-c2ccc(CCC3CCCC(CCC)C3)cc2)nc1
InChIInChI=1S/C26H37NO/c1-3-5-18-28-25-16-17-26(27-20-25)24-14-12-21(13-15-24)10-11-23-9-6-8-22(19-23)7-4-2/h12-17,20,22-23H,3-11,18-19H2,1-2H3
InChIKeySBFWSJQYHZBLHP-UHFFFAOYSA-N
MW379.59 g/mol
LogP7.47
Rot. Bonds10

About 5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine

5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 57294113) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is 5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID57294113
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCOc1ccc(-c2ccc(CCC3CCCC(CCC)C3)cc2)nc1
InChIInChI=1S/C26H37NO/c1-3-5-18-28-25-16-17-26(27-20-25)24-14-12-21(13-15-24)10-11-23-9-6-8-22(19-23)7-4-2/h12-17,20,22-23H,3-11,18-19H2,1-2H3
InChIKeySBFWSJQYHZBLHP-UHFFFAOYSA-N
XLogP7.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 57.47
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

5-butoxy-2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]pyridine
CID 57318310
5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 57010066
2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 57214361
2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57108551
2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57309643
2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610
5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18635623
5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57266232
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine
CID 57116786
5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18638428
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine (CID 57294113) is 5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine is CCCCOc1ccc(-c2ccc(CCC3CCCC(CCC)C3)cc2)nc1.
What is the InChIKey of 5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is SBFWSJQYHZBLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO/c1-3-5-18-28-25-16-17-26(27-20-25)24-14-12-21(13-15-24)10-11-23-9-6-8-22(19-23)7-4-2/h12-17,20,22-23H,3-11,18-19H2,1-2H3.
What are the key properties of 5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine?
5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 379.59 g/mol, XLogP of 7.47, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 57294113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).