2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine

C32H49NO — CID 18609110

IUPAC2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
SMILESCCCCCCCC1CCC(CCc2ccc(-c3ccc(OCCCCCC)cn3)cc2)CC1
InChIInChI=1S/C32H49NO/c1-3-5-7-9-10-12-27-13-15-28(16-14-27)17-18-29-19-21-30(22-20-29)32-24-23-31(26-33-32)34-25-11-8-6-4-2/h19-24,26-28H,3-18,25H2,1-2H3
InChIKeyWDUZEXNDVCOANM-UHFFFAOYSA-N
MW463.75 g/mol
LogP9.81
Rot. Bonds16

About 2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine

2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine (PubChem CID 18609110) has the molecular formula C32H49NO and a molecular weight of 463.75 g/mol. Its IUPAC name is 2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine.

Molecular Properties

Compound Name2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
PubChem CID18609110
Molecular FormulaC32H49NO
Molecular Weight463.75 g/mol
Exact Mass463.38
IUPAC Name2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
SMILESCCCCCCCC1CCC(CCc2ccc(-c3ccc(OCCCCCC)cn3)cc2)CC1
InChIInChI=1S/C32H49NO/c1-3-5-7-9-10-12-27-13-15-28(16-14-27)17-18-29-19-21-30(22-20-29)32-24-23-31(26-33-32)34-25-11-8-6-4-2/h19-24,26-28H,3-18,25H2,1-2H3
InChIKeyWDUZEXNDVCOANM-UHFFFAOYSA-N
XLogP9.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.75
LogP ≤ 59.81
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-pentoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18635623
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 57010066
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 57214361
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-propoxy-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]pyridine
CID 18638428
2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57108551
5-heptoxy-2-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 139601512
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine?
The IUPAC name of 2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine (CID 18609110) is 2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine.
What is the SMILES notation for 2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine?
The canonical SMILES for 2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine is CCCCCCCC1CCC(CCc2ccc(-c3ccc(OCCCCCC)cn3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine?
The InChIKey is WDUZEXNDVCOANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49NO/c1-3-5-7-9-10-12-27-13-15-28(16-14-27)17-18-29-19-21-30(22-20-29)32-24-23-31(26-33-32)34-25-11-8-6-4-2/h19-24,26-28H,3-18,25H2,1-2H3.
What are the key properties of 2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine?
2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine has a molecular weight of 463.75 g/mol, XLogP of 9.81, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-heptylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine is sourced from PubChem (CID 18609110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).