1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene

C12H4Cl6O — CID 71402176

IUPAC1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene
SMILESClc1cc(Oc2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl
InChIInChI=1S/C12H4Cl6O/c13-7-1-5(2-8(14)11(7)17)19-6-3-9(15)12(18)10(16)4-6/h1-4H
InChIKeyGYICBGVARZIPNT-UHFFFAOYSA-N
MW376.88 g/mol
LogP7.40
Rot. Bonds2

About 1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene

1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene (PubChem CID 71402176) has the molecular formula C12H4Cl6O and a molecular weight of 376.88 g/mol. Its IUPAC name is 1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene.

Molecular Properties

Compound Name1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene
PubChem CID71402176
Molecular FormulaC12H4Cl6O
Molecular Weight376.88 g/mol
Exact Mass373.84
IUPAC Name1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene
SMILESClc1cc(Oc2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl
InChIInChI=1S/C12H4Cl6O/c13-7-1-5(2-8(14)11(7)17)19-6-3-9(15)12(18)10(16)4-6/h1-4H
InChIKeyGYICBGVARZIPNT-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_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene?
The IUPAC name of 1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene (CID 71402176) is 1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene.
What is the SMILES notation for 1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene?
The canonical SMILES for 1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene is Clc1cc(Oc2cc(Cl)c(Cl)c(Cl)c2)cc(Cl)c1Cl.
What is the InChIKey of 1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene?
The InChIKey is GYICBGVARZIPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl6O/c13-7-1-5(2-8(14)11(7)17)19-6-3-9(15)12(18)10(16)4-6/h1-4H.
What are the key properties of 1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)benzene?
1,2,3-trichloro-5-(3,4,5-trichlorophenoxy)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-trichloro-5-(3,4,5-trichlorophenoxy)benzene is sourced from PubChem (CID 71402176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).