5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine

C23H31NO — CID 18609094

IUPAC5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCOc1ccc(-c2ccc(CCC3CCC(CC)CC3)cc2)nc1
InChIInChI=1S/C23H31NO/c1-3-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)23-16-15-22(17-24-23)25-4-2/h11-19H,3-10H2,1-2H3
InChIKeyWBMNJCZXQCXNRQ-UHFFFAOYSA-N
MW337.51 g/mol
LogP6.30
Rot. Bonds7

About 5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine

5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 18609094) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID18609094
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCOc1ccc(-c2ccc(CCC3CCC(CC)CC3)cc2)nc1
InChIInChI=1S/C23H31NO/c1-3-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)23-16-15-22(17-24-23)25-4-2/h11-19H,3-10H2,1-2H3
InChIKeyWBMNJCZXQCXNRQ-UHFFFAOYSA-N
XLogP6.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18638428
5-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18635623
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110
5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57266232
2-[4-[2-(3-ethylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57309643
2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine
CID 19841825
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-ethoxy-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839968
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

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine (CID 18609094) is 5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine is CCOc1ccc(-c2ccc(CCC3CCC(CC)CC3)cc2)nc1.
What is the InChIKey of 5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is WBMNJCZXQCXNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-3-18-5-7-19(8-6-18)9-10-20-11-13-21(14-12-20)23-16-15-22(17-24-23)25-4-2/h11-19H,3-10H2,1-2H3.
What are the key properties of 5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine?
5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 337.51 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 18609094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).