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

C15H9ClO2 — CID 127256784

IUPAC(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C\c2cccc(Cl)c2)Oc2ccccc21
InChIInChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)9-14-15(17)12-6-1-2-7-13(12)18-14/h1-9H/b14-9+
InChIKeyCCFUFYQPADLXAW-NTEUORMPSA-N
MW256.69 g/mol
LogP3.96
Rot. Bonds1

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

(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 127256784) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is (2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one
PubChem CID127256784
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Name(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C\c2cccc(Cl)c2)Oc2ccccc21
InChIInChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)9-14-15(17)12-6-1-2-7-13(12)18-14/h1-9H/b14-9+
InChIKeyCCFUFYQPADLXAW-NTEUORMPSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one (CID 127256784) is (2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C\c2cccc(Cl)c2)Oc2ccccc21.
What is the InChIKey of (2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is CCFUFYQPADLXAW-NTEUORMPSA-N. The full InChI is InChI=1S/C15H9ClO2/c16-11-5-3-4-10(8-11)9-14-15(17)12-6-1-2-7-13(12)18-14/h1-9H/b14-9+.
What are the key properties of (2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one?
(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 256.69 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 127256784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).