4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one

C15H8Cl2O2 — CID 154090814

IUPAC4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1OC(=Cc2ccccc2Cl)c2c(Cl)cccc21
InChIInChI=1S/C15H8Cl2O2/c16-11-6-2-1-4-9(11)8-13-14-10(15(18)19-13)5-3-7-12(14)17/h1-8H
InChIKeyFTDUFAFNZNBZTB-UHFFFAOYSA-N
MW291.13 g/mol
LogP4.66
Rot. Bonds1

About 4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one

4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one (PubChem CID 154090814) has the molecular formula C15H8Cl2O2 and a molecular weight of 291.13 g/mol. Its IUPAC name is 4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one
PubChem CID154090814
Molecular FormulaC15H8Cl2O2
Molecular Weight291.13 g/mol
Exact Mass289.99
IUPAC Name4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1OC(=Cc2ccccc2Cl)c2c(Cl)cccc21
InChIInChI=1S/C15H8Cl2O2/c16-11-6-2-1-4-9(11)8-13-14-10(15(18)19-13)5-3-7-12(14)17/h1-8H
InChIKeyFTDUFAFNZNBZTB-UHFFFAOYSA-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 4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of 4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one (CID 154090814) is 4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for 4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for 4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one is O=C1OC(=Cc2ccccc2Cl)c2c(Cl)cccc21.
What is the InChIKey of 4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one?
The InChIKey is FTDUFAFNZNBZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2O2/c16-11-6-2-1-4-9(11)8-13-14-10(15(18)19-13)5-3-7-12(14)17/h1-8H.
What are the key properties of 4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one?
4-chloro-3-[(2-chlorophenyl)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 4-chloro-3-[(2-chlorophenyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 154090814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).