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

C15H8Cl2O2 — CID 901761

IUPAC(3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C15H8Cl2O2/c16-12-6-5-9(7-13(12)17)8-14-10-3-1-2-4-11(10)15(18)19-14/h1-8H/b14-8-
InChIKeyHQTZOLYGVQALEU-ZSOIEALJSA-N
MW291.13 g/mol
LogP4.66
Rot. Bonds1

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

(3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one (PubChem CID 901761) has the molecular formula C15H8Cl2O2 and a molecular weight of 291.13 g/mol. Its IUPAC name is (3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
PubChem CID901761
Molecular FormulaC15H8Cl2O2
Molecular Weight291.13 g/mol
Exact Mass289.99
IUPAC Name(3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C15H8Cl2O2/c16-12-6-5-9(7-13(12)17)8-14-10-3-1-2-4-11(10)15(18)19-14/h1-8H/b14-8-
InChIKeyHQTZOLYGVQALEU-ZSOIEALJSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6538043
CID 6538043
CID 642371
CID 642371
CID 67044
CID 67044
CID 700611
CID 700611
CID 68464
CID 68464
CID 3040300
CID 3040300
CID 69923
CID 69923
CID 70334
CID 70334
CID 487991
CID 487991
CID 2731440
CID 2731440
CID 793356
CID 793356
CID 241737
CID 241737

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one (CID 901761) is (3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one is O=C1O/C(=C\c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one?
The InChIKey is HQTZOLYGVQALEU-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H8Cl2O2/c16-12-6-5-9(7-13(12)17)8-14-10-3-1-2-4-11(10)15(18)19-14/h1-8H/b14-8-.
What are the key properties of (3Z)-3-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one?
(3Z)-3-[(3,4-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-[(3,4-dichlorophenyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 901761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).