2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine

C24H33NO — CID 57309643

IUPAC2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
SMILESCCCOc1ccc(-c2ccc(CCC3CCCC(CC)C3)cc2)nc1
InChIInChI=1S/C24H33NO/c1-3-16-26-23-14-15-24(25-18-23)22-12-10-20(11-13-22)8-9-21-7-5-6-19(4-2)17-21/h10-15,18-19,21H,3-9,16-17H2,1-2H3
InChIKeyQKCBQGZVAVDNDE-UHFFFAOYSA-N
MW351.53 g/mol
LogP6.69
Rot. Bonds8

About 2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine

2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine (PubChem CID 57309643) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine.

Molecular Properties

Compound Name2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
PubChem CID57309643
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
SMILESCCCOc1ccc(-c2ccc(CCC3CCCC(CC)C3)cc2)nc1
InChIInChI=1S/C24H33NO/c1-3-16-26-23-14-15-24(25-18-23)22-12-10-20(11-13-22)8-9-21-7-5-6-19(4-2)17-21/h10-15,18-19,21H,3-9,16-17H2,1-2H3
InChIKeyQKCBQGZVAVDNDE-UHFFFAOYSA-N
XLogP6.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57108551
5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
CID 57294113
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
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-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610
5-butyl-2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 57174995
5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57266232
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 18609094

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine?
The IUPAC name of 2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine (CID 57309643) is 2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine.
What is the SMILES notation for 2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine?
The canonical SMILES for 2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine is CCCOc1ccc(-c2ccc(CCC3CCCC(CC)C3)cc2)nc1.
What is the InChIKey of 2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine?
The InChIKey is QKCBQGZVAVDNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-3-16-26-23-14-15-24(25-18-23)22-12-10-20(11-13-22)8-9-21-7-5-6-19(4-2)17-21/h10-15,18-19,21H,3-9,16-17H2,1-2H3.
What are the key properties of 2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine?
2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine has a molecular weight of 351.53 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine is sourced from PubChem (CID 57309643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).