2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol

C12H4Cl6O2 — CID 87916879

IUPAC2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol
SMILESOc1ccc(Cl)c(Cl)c1-c1c(Cl)c(Cl)c(O)c(Cl)c1Cl
InChIInChI=1S/C12H4Cl6O2/c13-3-1-2-4(19)5(7(3)14)6-8(15)10(17)12(20)11(18)9(6)16/h1-2,19-20H
InChIKeyXZOKCABHOWMAMO-UHFFFAOYSA-N
MW392.88 g/mol
LogP6.69
Rot. Bonds1

About 2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol

2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol (PubChem CID 87916879) has the molecular formula C12H4Cl6O2 and a molecular weight of 392.88 g/mol. Its IUPAC name is 2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol
PubChem CID87916879
Molecular FormulaC12H4Cl6O2
Molecular Weight392.88 g/mol
Exact Mass389.83
IUPAC Name2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol
SMILESOc1ccc(Cl)c(Cl)c1-c1c(Cl)c(Cl)c(O)c(Cl)c1Cl
InChIInChI=1S/C12H4Cl6O2/c13-3-1-2-4(19)5(7(3)14)6-8(15)10(17)12(20)11(18)9(6)16/h1-2,19-20H
InChIKeyXZOKCABHOWMAMO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol?
The IUPAC name of 2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol (CID 87916879) is 2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol.
What is the SMILES notation for 2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol?
The canonical SMILES for 2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol is Oc1ccc(Cl)c(Cl)c1-c1c(Cl)c(Cl)c(O)c(Cl)c1Cl.
What is the InChIKey of 2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol?
The InChIKey is XZOKCABHOWMAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl6O2/c13-3-1-2-4(19)5(7(3)14)6-8(15)10(17)12(20)11(18)9(6)16/h1-2,19-20H.
What are the key properties of 2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol?
2,3,5,6-tetrachloro-4-(2,3-dichloro-6-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 2,3,5,6-tetrachloro-4-(2,3-dichloro-6-hydroxyphenyl)phenol is sourced from PubChem (CID 87916879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).