(2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate

C14H2Cl8O3 — CID 11762843

IUPAC(2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate
SMILESO=C(OC(=O)c1cc(Cl)c(Cl)c(Cl)c1Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H2Cl8O3/c15-5-1-3(7(17)11(21)9(5)19)13(23)25-14(24)4-2-6(16)10(20)12(22)8(4)18/h1-2H
InChIKeyJJSOANNTEVSOOJ-UHFFFAOYSA-N
MW501.79 g/mol
LogP7.91
Rot. Bonds2

About (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate

(2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate (PubChem CID 11762843) has the molecular formula C14H2Cl8O3 and a molecular weight of 501.79 g/mol. Its IUPAC name is (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate.

Molecular Properties

Compound Name(2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate
PubChem CID11762843
Molecular FormulaC14H2Cl8O3
Molecular Weight501.79 g/mol
Exact Mass497.75
IUPAC Name(2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate
SMILESO=C(OC(=O)c1cc(Cl)c(Cl)c(Cl)c1Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C14H2Cl8O3/c15-5-1-3(7(17)11(21)9(5)19)13(23)25-14(24)4-2-6(16)10(20)12(22)8(4)18/h1-2H
InChIKeyJJSOANNTEVSOOJ-UHFFFAOYSA-N
XLogP7.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.79
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate?
The IUPAC name of (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate (CID 11762843) is (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate.
What is the SMILES notation for (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate?
The canonical SMILES for (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate is O=C(OC(=O)c1cc(Cl)c(Cl)c(Cl)c1Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate?
The InChIKey is JJSOANNTEVSOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2Cl8O3/c15-5-1-3(7(17)11(21)9(5)19)13(23)25-14(24)4-2-6(16)10(20)12(22)8(4)18/h1-2H.
What are the key properties of (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate?
(2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate has a molecular weight of 501.79 g/mol, XLogP of 7.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetrachlorobenzoyl) 2,3,4,5-tetrachlorobenzoate is sourced from PubChem (CID 11762843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).