2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine

C26H32N2O — CID 57317122

IUPAC2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
SMILESCCCCCCc1ccc(-c2cnc(OCc3ccc(CCC)cc3)cn2)cc1
InChIInChI=1S/C26H32N2O/c1-3-5-6-7-9-22-14-16-24(17-15-22)25-18-28-26(19-27-25)29-20-23-12-10-21(8-4-2)11-13-23/h10-19H,3-9,20H2,1-2H3
InChIKeyGRFRDURPVFUAOP-UHFFFAOYSA-N
MW388.56 g/mol
LogP6.80
Rot. Bonds11

About 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine

2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine (PubChem CID 57317122) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine.

Molecular Properties

Compound Name2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
PubChem CID57317122
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
SMILESCCCCCCc1ccc(-c2cnc(OCc3ccc(CCC)cc3)cn2)cc1
InChIInChI=1S/C26H32N2O/c1-3-5-6-7-9-22-14-16-24(17-15-22)25-18-28-26(19-27-25)29-20-23-12-10-21(8-4-2)11-13-23/h10-19H,3-9,20H2,1-2H3
InChIKeyGRFRDURPVFUAOP-UHFFFAOYSA-N
XLogP6.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-heptylphenyl)-5-[(4-heptylphenyl)methoxy]pyrazine
CID 57061929
2-(4-butoxyphenyl)-5-[(4-propylphenyl)methoxy]pyrazine
CID 19859377
4-[5-[(4-octylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859861
2-[(4-pentylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
CID 19859086
2-[(4-butylphenyl)methoxy]-5-(4-propoxyphenyl)pyrazine
CID 19859908
4-[5-[(4-propylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859231
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
5-nonyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 15918494
5-decyl-2-[4-[(4-propylphenyl)methoxy]phenyl]pyrimidine
CID 21288757

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine?
The IUPAC name of 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine (CID 57317122) is 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine.
What is the SMILES notation for 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine?
The canonical SMILES for 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine is CCCCCCc1ccc(-c2cnc(OCc3ccc(CCC)cc3)cn2)cc1.
What is the InChIKey of 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine?
The InChIKey is GRFRDURPVFUAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-3-5-6-7-9-22-14-16-24(17-15-22)25-18-28-26(19-27-25)29-20-23-12-10-21(8-4-2)11-13-23/h10-19H,3-9,20H2,1-2H3.
What are the key properties of 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine?
2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine has a molecular weight of 388.56 g/mol, XLogP of 6.80, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylphenyl)-5-[(4-propylphenyl)methoxy]pyrazine is sourced from PubChem (CID 57317122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).