2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol

C18H12Cl4N2O2 — CID 139631900

IUPAC2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol
SMILESCCc1nc(-c2cc(Cl)c(O)c(Cl)c2)cnc1-c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C18H12Cl4N2O2/c1-2-14-16(9-5-12(21)18(26)13(22)6-9)23-7-15(24-14)8-3-10(19)17(25)11(20)4-8/h3-7,25-26H,2H2,1H3
InChIKeyMCHSSYYBFRJQDK-UHFFFAOYSA-N
MW430.12 g/mol
LogP6.40
Rot. Bonds3

About 2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol

2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol (PubChem CID 139631900) has the molecular formula C18H12Cl4N2O2 and a molecular weight of 430.12 g/mol. Its IUPAC name is 2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol
PubChem CID139631900
Molecular FormulaC18H12Cl4N2O2
Molecular Weight430.12 g/mol
Exact Mass427.97
IUPAC Name2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol
SMILESCCc1nc(-c2cc(Cl)c(O)c(Cl)c2)cnc1-c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C18H12Cl4N2O2/c1-2-14-16(9-5-12(21)18(26)13(22)6-9)23-7-15(24-14)8-3-10(19)17(25)11(20)4-8/h3-7,25-26H,2H2,1H3
InChIKeyMCHSSYYBFRJQDK-UHFFFAOYSA-N
XLogP6.40
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.12
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol?
The IUPAC name of 2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol (CID 139631900) is 2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol?
The canonical SMILES for 2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol is CCc1nc(-c2cc(Cl)c(O)c(Cl)c2)cnc1-c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol?
The InChIKey is MCHSSYYBFRJQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl4N2O2/c1-2-14-16(9-5-12(21)18(26)13(22)6-9)23-7-15(24-14)8-3-10(19)17(25)11(20)4-8/h3-7,25-26H,2H2,1H3.
What are the key properties of 2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol?
2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol has a molecular weight of 430.12 g/mol, XLogP of 6.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol is sourced from PubChem (CID 139631900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).