3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine

C24H33NO — CID 19859536

IUPAC3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine
SMILESCCCOc1ccccc1-c1ccncc1C(C)C1CCC(CC)CC1
InChIInChI=1S/C24H33NO/c1-4-16-26-24-9-7-6-8-22(24)21-14-15-25-17-23(21)18(3)20-12-10-19(5-2)11-13-20/h6-9,14-15,17-20H,4-5,10-13,16H2,1-3H3
InChIKeyLKMIWHHGEYTFPJ-UHFFFAOYSA-N
MW351.53 g/mol
LogP6.86
Rot. Bonds7

About 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine

3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine (PubChem CID 19859536) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine.

Molecular Properties

Compound Name3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine
PubChem CID19859536
Molecular FormulaC24H33NO
Molecular Weight351.53 g/mol
Exact Mass351.26
IUPAC Name3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine
SMILESCCCOc1ccccc1-c1ccncc1C(C)C1CCC(CC)CC1
InChIInChI=1S/C24H33NO/c1-4-16-26-24-9-7-6-8-22(24)21-14-15-25-17-23(21)18(3)20-12-10-19(5-2)11-13-20/h6-9,14-15,17-20H,4-5,10-13,16H2,1-3H3
InChIKeyLKMIWHHGEYTFPJ-UHFFFAOYSA-N
XLogP6.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.53
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine?
The IUPAC name of 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine (CID 19859536) is 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine.
What is the SMILES notation for 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine?
The canonical SMILES for 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine is CCCOc1ccccc1-c1ccncc1C(C)C1CCC(CC)CC1.
What is the InChIKey of 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine?
The InChIKey is LKMIWHHGEYTFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO/c1-4-16-26-24-9-7-6-8-22(24)21-14-15-25-17-23(21)18(3)20-12-10-19(5-2)11-13-20/h6-9,14-15,17-20H,4-5,10-13,16H2,1-3H3.
What are the key properties of 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine?
3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine has a molecular weight of 351.53 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylcyclohexyl)ethyl]-4-(2-propoxyphenyl)pyridine is sourced from PubChem (CID 19859536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).