(2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate

C22H10Cl4O3 — CID 88665331

IUPAC(2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate
SMILESO=C(OC(=O)c1c(Cl)c(Cl)cc2ccccc12)c1c(Cl)c(Cl)cc2ccccc12
InChIInChI=1S/C22H10Cl4O3/c23-15-9-11-5-1-3-7-13(11)17(19(15)25)21(27)29-22(28)18-14-8-4-2-6-12(14)10-16(24)20(18)26/h1-10H
InChIKeyCLADGGMSUVDHAE-UHFFFAOYSA-N
MW464.13 g/mol
LogP7.60
Rot. Bonds2

About (2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate

(2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate (PubChem CID 88665331) has the molecular formula C22H10Cl4O3 and a molecular weight of 464.13 g/mol. Its IUPAC name is (2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate.

Molecular Properties

Compound Name(2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate
PubChem CID88665331
Molecular FormulaC22H10Cl4O3
Molecular Weight464.13 g/mol
Exact Mass461.94
IUPAC Name(2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate
SMILESO=C(OC(=O)c1c(Cl)c(Cl)cc2ccccc12)c1c(Cl)c(Cl)cc2ccccc12
InChIInChI=1S/C22H10Cl4O3/c23-15-9-11-5-1-3-7-13(11)17(19(15)25)21(27)29-22(28)18-14-8-4-2-6-12(14)10-16(24)20(18)26/h1-10H
InChIKeyCLADGGMSUVDHAE-UHFFFAOYSA-N
XLogP7.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.13
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate 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-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate?
The IUPAC name of (2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate (CID 88665331) is (2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate.
What is the SMILES notation for (2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate?
The canonical SMILES for (2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate is O=C(OC(=O)c1c(Cl)c(Cl)cc2ccccc12)c1c(Cl)c(Cl)cc2ccccc12.
What is the InChIKey of (2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate?
The InChIKey is CLADGGMSUVDHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10Cl4O3/c23-15-9-11-5-1-3-7-13(11)17(19(15)25)21(27)29-22(28)18-14-8-4-2-6-12(14)10-16(24)20(18)26/h1-10H.
What are the key properties of (2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate?
(2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate has a molecular weight of 464.13 g/mol, XLogP of 7.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloronaphthalene-1-carbonyl) 2,3-dichloronaphthalene-1-carboxylate is sourced from PubChem (CID 88665331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).