4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol

C22H32N2O3 — CID 135593018

IUPAC4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol
SMILESCCc1nc(-c2ccc(O)cc2OC(C)C)c(CC)nc1OC(CC)CC
InChIInChI=1S/C22H32N2O3/c1-7-16(8-2)27-22-19(10-4)23-21(18(9-3)24-22)17-12-11-15(25)13-20(17)26-14(5)6/h11-14,16,25H,7-10H2,1-6H3
InChIKeyJZKGWSTZYAZBBN-UHFFFAOYSA-N
MW372.51 g/mol
LogP5.33
Rot. Bonds9

About 4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol

4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol (PubChem CID 135593018) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol.

Molecular Properties

Compound Name4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol
PubChem CID135593018
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol
SMILESCCc1nc(-c2ccc(O)cc2OC(C)C)c(CC)nc1OC(CC)CC
InChIInChI=1S/C22H32N2O3/c1-7-16(8-2)27-22-19(10-4)23-21(18(9-3)24-22)17-12-11-15(25)13-20(17)26-14(5)6/h11-14,16,25H,7-10H2,1-6H3
InChIKeyJZKGWSTZYAZBBN-UHFFFAOYSA-N
XLogP5.33
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol?
The IUPAC name of 4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol (CID 135593018) is 4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol.
What is the SMILES notation for 4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol?
The canonical SMILES for 4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol is CCc1nc(-c2ccc(O)cc2OC(C)C)c(CC)nc1OC(CC)CC.
What is the InChIKey of 4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol?
The InChIKey is JZKGWSTZYAZBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-7-16(8-2)27-22-19(10-4)23-21(18(9-3)24-22)17-12-11-15(25)13-20(17)26-14(5)6/h11-14,16,25H,7-10H2,1-6H3.
What are the key properties of 4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol?
4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol has a molecular weight of 372.51 g/mol, XLogP of 5.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diethyl-5-pentan-3-yloxypyrazin-2-yl)-3-propan-2-yloxyphenol is sourced from PubChem (CID 135593018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).