4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione

C18H8Cl2O3S — CID 71373456

IUPAC4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione
SMILESO=C1OC(=O)c2c(-c3ccc(Cl)cc3)sc(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C18H8Cl2O3S/c19-11-5-1-9(2-6-11)15-13-14(18(22)23-17(13)21)16(24-15)10-3-7-12(20)8-4-10/h1-8H
InChIKeyWJQKLVFDSBIPGO-UHFFFAOYSA-N
MW375.23 g/mol
LogP5.70
Rot. Bonds2

About 4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione

4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione (PubChem CID 71373456) has the molecular formula C18H8Cl2O3S and a molecular weight of 375.23 g/mol. Its IUPAC name is 4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione.

Molecular Properties

Compound Name4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione
PubChem CID71373456
Molecular FormulaC18H8Cl2O3S
Molecular Weight375.23 g/mol
Exact Mass373.96
IUPAC Name4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione
SMILESO=C1OC(=O)c2c(-c3ccc(Cl)cc3)sc(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C18H8Cl2O3S/c19-11-5-1-9(2-6-11)15-13-14(18(22)23-17(13)21)16(24-15)10-3-7-12(20)8-4-10/h1-8H
InChIKeyWJQKLVFDSBIPGO-UHFFFAOYSA-N
XLogP5.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.23
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione?
The IUPAC name of 4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione (CID 71373456) is 4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione.
What is the SMILES notation for 4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione?
The canonical SMILES for 4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione is O=C1OC(=O)c2c(-c3ccc(Cl)cc3)sc(-c3ccc(Cl)cc3)c21.
What is the InChIKey of 4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione?
The InChIKey is WJQKLVFDSBIPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Cl2O3S/c19-11-5-1-9(2-6-11)15-13-14(18(22)23-17(13)21)16(24-15)10-3-7-12(20)8-4-10/h1-8H.
What are the key properties of 4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione?
4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione has a molecular weight of 375.23 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-chlorophenyl)thieno[3,4-c]furan-1,3-dione is sourced from PubChem (CID 71373456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).