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

C25H35NO — CID 18638428

IUPAC5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)cc2)nc1
InChIInChI=1S/C25H35NO/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)25-17-16-24(19-26-25)27-18-4-2/h12-17,19-21H,3-11,18H2,1-2H3
InChIKeyUDEIHGQTPHZMPW-UHFFFAOYSA-N
MW365.56 g/mol
LogP7.08
Rot. Bonds9

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

5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 18638428) has the molecular formula C25H35NO and a molecular weight of 365.56 g/mol. Its IUPAC name is 5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID18638428
Molecular FormulaC25H35NO
Molecular Weight365.56 g/mol
Exact Mass365.27
IUPAC Name5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)cc2)nc1
InChIInChI=1S/C25H35NO/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)25-17-16-24(19-26-25)27-18-4-2/h12-17,19-21H,3-11,18H2,1-2H3
InChIKeyUDEIHGQTPHZMPW-UHFFFAOYSA-N
XLogP7.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.56
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18635623
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110
5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
CID 57294113
2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57309643
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 18609094
2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57108551
5-butoxy-2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]pyridine
CID 57318310
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 57010066
2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 57214361

Frequently Asked Questions

What is the IUPAC name of 5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine (CID 18638428) is 5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine is CCCOc1ccc(-c2ccc(CCC3CCC(CCC)CC3)cc2)nc1.
What is the InChIKey of 5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is UDEIHGQTPHZMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO/c1-3-5-20-6-8-21(9-7-20)10-11-22-12-14-23(15-13-22)25-17-16-24(19-26-25)27-18-4-2/h12-17,19-21H,3-11,18H2,1-2H3.
What are the key properties of 5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine?
5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 365.56 g/mol, XLogP of 7.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 18638428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).