2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol

C12H4Cl6O2 — CID 101252615

IUPAC2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol
SMILESOc1c(Cl)cc(Cl)c(-c2c(Cl)cc(Cl)c(O)c2Cl)c1Cl
InChIInChI=1S/C12H4Cl6O2/c13-3-1-5(15)11(19)9(17)7(3)8-4(14)2-6(16)12(20)10(8)18/h1-2,19-20H
InChIKeyKOINIHQLOAWFCX-UHFFFAOYSA-N
MW392.88 g/mol
LogP6.69
Rot. Bonds1

About 2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol

2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol (PubChem CID 101252615) has the molecular formula C12H4Cl6O2 and a molecular weight of 392.88 g/mol. Its IUPAC name is 2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol
PubChem CID101252615
Molecular FormulaC12H4Cl6O2
Molecular Weight392.88 g/mol
Exact Mass389.83
IUPAC Name2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol
SMILESOc1c(Cl)cc(Cl)c(-c2c(Cl)cc(Cl)c(O)c2Cl)c1Cl
InChIInChI=1S/C12H4Cl6O2/c13-3-1-5(15)11(19)9(17)7(3)8-4(14)2-6(16)12(20)10(8)18/h1-2,19-20H
InChIKeyKOINIHQLOAWFCX-UHFFFAOYSA-N
XLogP6.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.88
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol?
The IUPAC name of 2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol (CID 101252615) is 2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol.
What is the SMILES notation for 2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol?
The canonical SMILES for 2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol is Oc1c(Cl)cc(Cl)c(-c2c(Cl)cc(Cl)c(O)c2Cl)c1Cl.
What is the InChIKey of 2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol?
The InChIKey is KOINIHQLOAWFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl6O2/c13-3-1-5(15)11(19)9(17)7(3)8-4(14)2-6(16)12(20)10(8)18/h1-2,19-20H.
What are the key properties of 2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol?
2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol has a molecular weight of 392.88 g/mol, XLogP of 6.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-3-(2,4,6-trichloro-3-hydroxyphenyl)phenol is sourced from PubChem (CID 101252615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).