(3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one

C15H7Cl3O2 — CID 15959080

IUPAC(3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H7Cl3O2/c16-9-3-1-8(2-4-9)5-14-10-6-12(17)13(18)7-11(10)15(19)20-14/h1-7H/b14-5-
InChIKeyFWJSNKHNRBAYHA-RZNTYIFUSA-N
MW325.58 g/mol
LogP5.32
Rot. Bonds1

About (3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one

(3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one (PubChem CID 15959080) has the molecular formula C15H7Cl3O2 and a molecular weight of 325.58 g/mol. Its IUPAC name is (3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
PubChem CID15959080
Molecular FormulaC15H7Cl3O2
Molecular Weight325.58 g/mol
Exact Mass323.95
IUPAC Name(3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H7Cl3O2/c16-9-3-1-8(2-4-9)5-14-10-6-12(17)13(18)7-11(10)15(19)20-14/h1-7H/b14-5-
InChIKeyFWJSNKHNRBAYHA-RZNTYIFUSA-N
XLogP5.32
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 ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of (3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one (CID 15959080) is (3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for (3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one is O=C1O/C(=C\c2ccc(Cl)cc2)c2cc(Cl)c(Cl)cc21.
What is the InChIKey of (3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one?
The InChIKey is FWJSNKHNRBAYHA-RZNTYIFUSA-N. The full InChI is InChI=1S/C15H7Cl3O2/c16-9-3-1-8(2-4-9)5-14-10-6-12(17)13(18)7-11(10)15(19)20-14/h1-7H/b14-5-.
What are the key properties of (3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one?
(3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one has a molecular weight of 325.58 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5,6-dichloro-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 15959080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).