8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

C12H4Cl2O3 — CID 4091816

IUPAC8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
SMILESO=C1OC(=O)c2ccc(Cl)c3c(Cl)ccc1c23
InChIInChI=1S/C12H4Cl2O3/c13-7-3-1-5-9-6(12(16)17-11(5)15)2-4-8(14)10(7)9/h1-4H
InChIKeyFCSWROAHPQGTNM-UHFFFAOYSA-N
MW267.07 g/mol
LogP3.46
Rot. Bonds

About 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione

8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (PubChem CID 4091816) has the molecular formula C12H4Cl2O3 and a molecular weight of 267.07 g/mol. Its IUPAC name is 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione.

Molecular Properties

Compound Name8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
PubChem CID4091816
Molecular FormulaC12H4Cl2O3
Molecular Weight267.07 g/mol
Exact Mass265.95
IUPAC Name8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
SMILESO=C1OC(=O)c2ccc(Cl)c3c(Cl)ccc1c23
InChIInChI=1S/C12H4Cl2O3/c13-7-3-1-5-9-6(12(16)17-11(5)15)2-4-8(14)10(7)9/h1-4H
InChIKeyFCSWROAHPQGTNM-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione 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 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The IUPAC name of 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione (CID 4091816) is 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione.
What is the SMILES notation for 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The canonical SMILES for 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione is O=C1OC(=O)c2ccc(Cl)c3c(Cl)ccc1c23.
What is the InChIKey of 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
The InChIKey is FCSWROAHPQGTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2O3/c13-7-3-1-5-9-6(12(16)17-11(5)15)2-4-8(14)10(7)9/h1-4H.
What are the key properties of 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione?
8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione has a molecular weight of 267.07 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-dichloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione is sourced from PubChem (CID 4091816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).