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

C15H9FO2 — CID 677842

IUPAC(3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-
InChIKeyYUUDPCAZITYZNH-ZROIWOOFSA-N
MW240.23 g/mol
LogP3.49
Rot. Bonds1

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

(3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one (PubChem CID 677842) has the molecular formula C15H9FO2 and a molecular weight of 240.23 g/mol. Its IUPAC name is (3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one.

Molecular Properties

Compound Name(3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one
PubChem CID677842
Molecular FormulaC15H9FO2
Molecular Weight240.23 g/mol
Exact Mass240.06
IUPAC Name(3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one
SMILESO=C1O/C(=C\c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-
InChIKeyYUUDPCAZITYZNH-ZROIWOOFSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.49
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-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one?
The IUPAC name of (3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one (CID 677842) is (3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one.
What is the SMILES notation for (3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one?
The canonical SMILES for (3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one is O=C1O/C(=C\c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of (3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one?
The InChIKey is YUUDPCAZITYZNH-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-.
What are the key properties of (3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one?
(3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one has a molecular weight of 240.23 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-fluorophenyl)methylidene]-2-benzofuran-1-one is sourced from PubChem (CID 677842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).