2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine

C23H33ClN2O2 — CID 22248963

IUPAC2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine
SMILESCCc1nc(-c2ccc(OCC(C)C)cc2Cl)c(CC)nc1OC(CC)CC
InChIInChI=1S/C23H33ClN2O2/c1-7-16(8-2)28-23-21(10-4)25-22(20(9-3)26-23)18-12-11-17(13-19(18)24)27-14-15(5)6/h11-13,15-16H,7-10,14H2,1-6H3
InChIKeyZAHPHXDFDURWCD-UHFFFAOYSA-N
MW404.98 g/mol
LogP6.52
Rot. Bonds10

About 2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine

2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine (PubChem CID 22248963) has the molecular formula C23H33ClN2O2 and a molecular weight of 404.98 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine.

Molecular Properties

Compound Name2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine
PubChem CID22248963
Molecular FormulaC23H33ClN2O2
Molecular Weight404.98 g/mol
Exact Mass404.22
IUPAC Name2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine
SMILESCCc1nc(-c2ccc(OCC(C)C)cc2Cl)c(CC)nc1OC(CC)CC
InChIInChI=1S/C23H33ClN2O2/c1-7-16(8-2)28-23-21(10-4)25-22(20(9-3)26-23)18-12-11-17(13-19(18)24)27-14-15(5)6/h11-13,15-16H,7-10,14H2,1-6H3
InChIKeyZAHPHXDFDURWCD-UHFFFAOYSA-N
XLogP6.52
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.98
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine?
The IUPAC name of 2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine (CID 22248963) is 2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine.
What is the SMILES notation for 2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine?
The canonical SMILES for 2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine is CCc1nc(-c2ccc(OCC(C)C)cc2Cl)c(CC)nc1OC(CC)CC.
What is the InChIKey of 2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine?
The InChIKey is ZAHPHXDFDURWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN2O2/c1-7-16(8-2)28-23-21(10-4)25-22(20(9-3)26-23)18-12-11-17(13-19(18)24)27-14-15(5)6/h11-13,15-16H,7-10,14H2,1-6H3.
What are the key properties of 2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine?
2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine has a molecular weight of 404.98 g/mol, XLogP of 6.52, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-methylpropoxy)phenyl]-3,6-diethyl-5-pentan-3-yloxypyrazine is sourced from PubChem (CID 22248963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).