5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine

C32H41NO2 — CID 19867253

IUPAC5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(C3CCC(COCc4ccc(OC)cc4)CC3)cc2)nc1
InChIInChI=1S/C32H41NO2/c1-3-4-5-6-7-25-12-21-32(33-22-25)30-17-15-29(16-18-30)28-13-8-26(9-14-28)23-35-24-27-10-19-31(34-2)20-11-27/h10-12,15-22,26,28H,3-9,13-14,23-24H2,1-2H3
InChIKeyBEMQSGJAKSIUPU-UHFFFAOYSA-N
MW471.69 g/mol
LogP8.37
Rot. Bonds12

About 5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine

5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine (PubChem CID 19867253) has the molecular formula C32H41NO2 and a molecular weight of 471.69 g/mol. Its IUPAC name is 5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine.

Molecular Properties

Compound Name5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine
PubChem CID19867253
Molecular FormulaC32H41NO2
Molecular Weight471.69 g/mol
Exact Mass471.31
IUPAC Name5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine
SMILESCCCCCCc1ccc(-c2ccc(C3CCC(COCc4ccc(OC)cc4)CC3)cc2)nc1
InChIInChI=1S/C32H41NO2/c1-3-4-5-6-7-25-12-21-32(33-22-25)30-17-15-29(16-18-30)28-13-8-26(9-14-28)23-35-24-27-10-19-31(34-2)20-11-27/h10-12,15-22,26,28H,3-9,13-14,23-24H2,1-2H3
InChIKeyBEMQSGJAKSIUPU-UHFFFAOYSA-N
XLogP8.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
5-heptoxy-2-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 139601512
2-(4-cyclododecyloxyphenyl)-5-decylpyridine
CID 67763246
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-(5-ethoxypentoxy)phenyl]-5-nonylpyridine
CID 22445582
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine?
The IUPAC name of 5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine (CID 19867253) is 5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine.
What is the SMILES notation for 5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine?
The canonical SMILES for 5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine is CCCCCCc1ccc(-c2ccc(C3CCC(COCc4ccc(OC)cc4)CC3)cc2)nc1.
What is the InChIKey of 5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine?
The InChIKey is BEMQSGJAKSIUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NO2/c1-3-4-5-6-7-25-12-21-32(33-22-25)30-17-15-29(16-18-30)28-13-8-26(9-14-28)23-35-24-27-10-19-31(34-2)20-11-27/h10-12,15-22,26,28H,3-9,13-14,23-24H2,1-2H3.
What are the key properties of 5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine?
5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine has a molecular weight of 471.69 g/mol, XLogP of 8.37, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-[4-[4-[(4-methoxyphenyl)methoxymethyl]cyclohexyl]phenyl]pyridine is sourced from PubChem (CID 19867253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).