(2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one

C15H9ClO3 — CID 46838132

IUPAC(2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc(Cl)c2)Oc2ccc(O)cc21
InChIInChI=1S/C15H9ClO3/c16-10-3-1-2-9(6-10)7-14-15(18)12-8-11(17)4-5-13(12)19-14/h1-8,17H/b14-7-
InChIKeyUIYVBAPCCGOTJT-AUWJEWJLSA-N
MW272.69 g/mol
LogP3.66
Rot. Bonds1

About (2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one

(2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one (PubChem CID 46838132) has the molecular formula C15H9ClO3 and a molecular weight of 272.69 g/mol. Its IUPAC name is (2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one
PubChem CID46838132
Molecular FormulaC15H9ClO3
Molecular Weight272.69 g/mol
Exact Mass272.02
IUPAC Name(2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C/c2cccc(Cl)c2)Oc2ccc(O)cc21
InChIInChI=1S/C15H9ClO3/c16-10-3-1-2-9(6-10)7-14-15(18)12-8-11(17)4-5-13(12)19-14/h1-8,17H/b14-7-
InChIKeyUIYVBAPCCGOTJT-AUWJEWJLSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one (CID 46838132) is (2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one is O=C1/C(=C/c2cccc(Cl)c2)Oc2ccc(O)cc21.
What is the InChIKey of (2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one?
The InChIKey is UIYVBAPCCGOTJT-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H9ClO3/c16-10-3-1-2-9(6-10)7-14-15(18)12-8-11(17)4-5-13(12)19-14/h1-8,17H/b14-7-.
What are the key properties of (2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one?
(2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one has a molecular weight of 272.69 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chlorophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one is sourced from PubChem (CID 46838132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).