1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene

C12H4Cl6O — CID 72941890

IUPAC1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene
SMILESClc1ccc(Cl)c(Oc2c(Cl)cc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C12H4Cl6O/c13-5-1-2-6(14)9(3-5)19-12-8(16)4-7(15)10(17)11(12)18/h1-4H
InChIKeyGUWQFNUOPQKNMH-UHFFFAOYSA-N
MW376.88 g/mol
LogP7.40
Rot. Bonds2

About 1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene

1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene (PubChem CID 72941890) has the molecular formula C12H4Cl6O and a molecular weight of 376.88 g/mol. Its IUPAC name is 1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene.

Molecular Properties

Compound Name1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene
PubChem CID72941890
Molecular FormulaC12H4Cl6O
Molecular Weight376.88 g/mol
Exact Mass373.84
IUPAC Name1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene
SMILESClc1ccc(Cl)c(Oc2c(Cl)cc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C12H4Cl6O/c13-5-1-2-6(14)9(3-5)19-12-8(16)4-7(15)10(17)11(12)18/h1-4H
InChIKeyGUWQFNUOPQKNMH-UHFFFAOYSA-N
XLogP7.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.88
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene?
The IUPAC name of 1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene (CID 72941890) is 1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene.
What is the SMILES notation for 1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene?
The canonical SMILES for 1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene is Clc1ccc(Cl)c(Oc2c(Cl)cc(Cl)c(Cl)c2Cl)c1.
What is the InChIKey of 1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene?
The InChIKey is GUWQFNUOPQKNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl6O/c13-5-1-2-6(14)9(3-5)19-12-8(16)4-7(15)10(17)11(12)18/h1-4H.
What are the key properties of 1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene?
1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene has a molecular weight of 376.88 g/mol, XLogP of 7.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetrachloro-4-(2,5-dichlorophenoxy)benzene is sourced from PubChem (CID 72941890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).