(2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one

C15H7Cl3O2 — CID 901884

IUPAC(2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C\c2ccccc2Cl)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H7Cl3O2/c16-9-6-10-14(19)13(20-15(10)12(18)7-9)5-8-3-1-2-4-11(8)17/h1-7H/b13-5+
InChIKeyRKJPQXCIKCEOLZ-WLRTZDKTSA-N
MW325.58 g/mol
LogP5.26
Rot. Bonds1

About (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one

(2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 901884) has the molecular formula C15H7Cl3O2 and a molecular weight of 325.58 g/mol. Its IUPAC name is (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one
PubChem CID901884
Molecular FormulaC15H7Cl3O2
Molecular Weight325.58 g/mol
Exact Mass323.95
IUPAC Name(2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C\c2ccccc2Cl)Oc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C15H7Cl3O2/c16-9-6-10-14(19)13(20-15(10)12(18)7-9)5-8-3-1-2-4-11(8)17/h1-7H/b13-5+
InChIKeyRKJPQXCIKCEOLZ-WLRTZDKTSA-N
XLogP5.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one 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 (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one (CID 901884) is (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C\c2ccccc2Cl)Oc2c(Cl)cc(Cl)cc21.
What is the InChIKey of (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is RKJPQXCIKCEOLZ-WLRTZDKTSA-N. The full InChI is InChI=1S/C15H7Cl3O2/c16-9-6-10-14(19)13(20-15(10)12(18)7-9)5-8-3-1-2-4-11(8)17/h1-7H/b13-5+.
What are the key properties of (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one?
(2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 325.58 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 901884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).