5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine

C28H41NO — CID 57266232

IUPAC5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCCC1CCCC(CCc2ccc(-c3ccc(OCC)cn3)cc2)C1
InChIInChI=1S/C28H41NO/c1-3-5-6-7-8-10-24-11-9-12-25(21-24)14-13-23-15-17-26(18-16-23)28-20-19-27(22-29-28)30-4-2/h15-20,22,24-25H,3-14,21H2,1-2H3
InChIKeyLHXYNZJBQQSLAC-UHFFFAOYSA-N
MW407.64 g/mol
LogP8.25
Rot. Bonds12

About 5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine

5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine (PubChem CID 57266232) has the molecular formula C28H41NO and a molecular weight of 407.64 g/mol. Its IUPAC name is 5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine.

Molecular Properties

Compound Name5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
PubChem CID57266232
Molecular FormulaC28H41NO
Molecular Weight407.64 g/mol
Exact Mass407.32
IUPAC Name5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
SMILESCCCCCCCC1CCCC(CCc2ccc(-c3ccc(OCC)cn3)cc2)C1
InChIInChI=1S/C28H41NO/c1-3-5-6-7-8-10-24-11-9-12-25(21-24)14-13-23-15-17-26(18-16-23)28-20-19-27(22-29-28)30-4-2/h15-20,22,24-25H,3-14,21H2,1-2H3
InChIKeyLHXYNZJBQQSLAC-UHFFFAOYSA-N
XLogP8.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.64
LogP ≤ 58.25
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-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
5-butoxy-2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]pyridine
CID 57318310
5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
CID 57294113
5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57153394
2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
CID 57020973
5-ethyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57065381
5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
CID 57273291
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 18609110
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
CID 57162610

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
The IUPAC name of 5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine (CID 57266232) is 5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine.
What is the SMILES notation for 5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
The canonical SMILES for 5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine is CCCCCCCC1CCCC(CCc2ccc(-c3ccc(OCC)cn3)cc2)C1.
What is the InChIKey of 5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
The InChIKey is LHXYNZJBQQSLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO/c1-3-5-6-7-8-10-24-11-9-12-25(21-24)14-13-23-15-17-26(18-16-23)28-20-19-27(22-29-28)30-4-2/h15-20,22,24-25H,3-14,21H2,1-2H3.
What are the key properties of 5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine?
5-ethoxy-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine has a molecular weight of 407.64 g/mol, XLogP of 8.25, 12 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-(3-heptylcyclohexyl)ethyl]phenyl]pyridine is sourced from PubChem (CID 57266232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).