(2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one

C15H9BrO3 — CID 50905816

IUPAC(2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(Br)cc2)Oc2ccc(O)cc21
InChIInChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)7-14-15(18)12-8-11(17)5-6-13(12)19-14/h1-8,17H/b14-7-
InChIKeyAGNXABPJBSLWNH-AUWJEWJLSA-N
MW317.14 g/mol
LogP3.77
Rot. Bonds1

About (2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one

(2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one (PubChem CID 50905816) has the molecular formula C15H9BrO3 and a molecular weight of 317.14 g/mol. Its IUPAC name is (2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one
PubChem CID50905816
Molecular FormulaC15H9BrO3
Molecular Weight317.14 g/mol
Exact Mass315.97
IUPAC Name(2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(Br)cc2)Oc2ccc(O)cc21
InChIInChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)7-14-15(18)12-8-11(17)5-6-13(12)19-14/h1-8,17H/b14-7-
InChIKeyAGNXABPJBSLWNH-AUWJEWJLSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.77
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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Related Compounds

(2Z)-2-[(4-bromophenyl)methylidene]-5-methyl-1-benzofuran-3-one
CID 18823524
(2Z)-5-bromo-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 18823422
(2Z)-2-[(3-bromophenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 941626
2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 171131608
[2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] acetate
CID 3916059
(2Z)-5-bromo-2-[(3-nitrophenyl)methylidene]-1-benzofuran-3-one
CID 18823392
6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one
CID 4522752
(2E)-2-[(4-aminophenyl)methylidene]-5-iodo-1-benzofuran-3-one
CID 177399745
(2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-4-phenyl-1-benzofuran-3-one
CID 164510643
(2Z)-2-[(3,4-dimethylphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one
CID 47241499
[2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-dimethylcarbamate
CID 3993261
(2Z)-5-chloro-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 18823460

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one (CID 50905816) is (2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one is O=C1/C(=C/c2ccc(Br)cc2)Oc2ccc(O)cc21.
What is the InChIKey of (2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one?
The InChIKey is AGNXABPJBSLWNH-AUWJEWJLSA-N. The full InChI is InChI=1S/C15H9BrO3/c16-10-3-1-9(2-4-10)7-14-15(18)12-8-11(17)5-6-13(12)19-14/h1-8,17H/b14-7-.
What are the key properties of (2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one?
(2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one has a molecular weight of 317.14 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-bromophenyl)methylidene]-5-hydroxy-1-benzofuran-3-one is sourced from PubChem (CID 50905816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).