2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one

C15H9FO4 — CID 71395967

IUPAC2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(F)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)5-13-15(19)14-11(18)6-10(17)7-12(14)20-13/h1-7,17-18H
InChIKeyAVESZKUTVADLAH-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.85
Rot. Bonds1

About 2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one

2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one (PubChem CID 71395967) has the molecular formula C15H9FO4 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
PubChem CID71395967
Molecular FormulaC15H9FO4
Molecular Weight272.23 g/mol
Exact Mass272.05
IUPAC Name2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(F)cc2)Oc2cc(O)cc(O)c21
InChIInChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)5-13-15(19)14-11(18)6-10(17)7-12(14)20-13/h1-7,17-18H
InChIKeyAVESZKUTVADLAH-UHFFFAOYSA-N
XLogP2.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one (CID 71395967) is 2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one is O=C1C(=Cc2ccc(F)cc2)Oc2cc(O)cc(O)c21.
What is the InChIKey of 2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
The InChIKey is AVESZKUTVADLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO4/c16-9-3-1-8(2-4-9)5-13-15(19)14-11(18)6-10(17)7-12(14)20-13/h1-7,17-18H.
What are the key properties of 2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one?
2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one has a molecular weight of 272.23 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one is sourced from PubChem (CID 71395967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).