(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one

C15H8Cl2O2 — CID 1480450

IUPAC(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C15H8Cl2O2/c16-10-6-5-9(13(17)8-10)7-14-11-3-1-2-4-12(11)15(18)19-14/h1-8H/b14-7-
InChIKeyXWYTUWSFVINSSY-AUWJEWJLSA-N
MW291.13 g/mol
LogP4.66
Rot. Bonds1

About (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one

(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one (PubChem CID 1480450) has the molecular formula C15H8Cl2O2 and a molecular weight of 291.13 g/mol. Its IUPAC name is (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
PubChem CID1480450
Molecular FormulaC15H8Cl2O2
Molecular Weight291.13 g/mol
Exact Mass289.99
IUPAC Name(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C15H8Cl2O2/c16-10-6-5-9(13(17)8-10)7-14-11-3-1-2-4-12(11)15(18)19-14/h1-8H/b14-7-
InChIKeyXWYTUWSFVINSSY-AUWJEWJLSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 54.66
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)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one (CID 1480450) is (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one is O=C1O/C(=C\c2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one?
The InChIKey is XWYTUWSFVINSSY-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H8Cl2O2/c16-10-6-5-9(13(17)8-10)7-14-11-3-1-2-4-12(11)15(18)19-14/h1-8H/b14-7-.
What are the key properties of (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one?
(3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one has a molecular weight of 291.13 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,4-dichlorophenyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 1480450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).