(2,4-dichlorobenzoyl) 2,4-dichlorobenzoate

C14H6Cl4O3 — CID 14822859

IUPAC(2,4-dichlorobenzoyl) 2,4-dichlorobenzoate
SMILESO=C(OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H6Cl4O3/c15-7-1-3-9(11(17)5-7)13(19)21-14(20)10-4-2-8(16)6-12(10)18/h1-6H
InChIKeyMEIRCVABHWFXDR-UHFFFAOYSA-N
MW364.01 g/mol
LogP5.30
Rot. Bonds2

About (2,4-dichlorobenzoyl) 2,4-dichlorobenzoate

(2,4-dichlorobenzoyl) 2,4-dichlorobenzoate (PubChem CID 14822859) has the molecular formula C14H6Cl4O3 and a molecular weight of 364.01 g/mol. Its IUPAC name is (2,4-dichlorobenzoyl) 2,4-dichlorobenzoate.

Molecular Properties

Compound Name(2,4-dichlorobenzoyl) 2,4-dichlorobenzoate
PubChem CID14822859
Molecular FormulaC14H6Cl4O3
Molecular Weight364.01 g/mol
Exact Mass361.91
IUPAC Name(2,4-dichlorobenzoyl) 2,4-dichlorobenzoate
SMILESO=C(OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H6Cl4O3/c15-7-1-3-9(11(17)5-7)13(19)21-14(20)10-4-2-8(16)6-12(10)18/h1-6H
InChIKeyMEIRCVABHWFXDR-UHFFFAOYSA-N
XLogP5.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.01
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorobenzoyl) 2,4-dichlorobenzoate?
The IUPAC name of (2,4-dichlorobenzoyl) 2,4-dichlorobenzoate (CID 14822859) is (2,4-dichlorobenzoyl) 2,4-dichlorobenzoate.
What is the SMILES notation for (2,4-dichlorobenzoyl) 2,4-dichlorobenzoate?
The canonical SMILES for (2,4-dichlorobenzoyl) 2,4-dichlorobenzoate is O=C(OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorobenzoyl) 2,4-dichlorobenzoate?
The InChIKey is MEIRCVABHWFXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4O3/c15-7-1-3-9(11(17)5-7)13(19)21-14(20)10-4-2-8(16)6-12(10)18/h1-6H.
What are the key properties of (2,4-dichlorobenzoyl) 2,4-dichlorobenzoate?
(2,4-dichlorobenzoyl) 2,4-dichlorobenzoate has a molecular weight of 364.01 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorobenzoyl) 2,4-dichlorobenzoate is sourced from PubChem (CID 14822859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).