6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one

C22H14Br2O3 — CID 4522752

IUPAC6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3ccc(Br)cc3)ccc21
InChIInChI=1S/C22H14Br2O3/c23-16-5-1-14(2-6-16)11-21-22(25)19-10-9-18(12-20(19)27-21)26-13-15-3-7-17(24)8-4-15/h1-12H,13H2
InChIKeyVQFXLFGXRVZVQW-UHFFFAOYSA-N
MW486.16 g/mol
LogP6.41
Rot. Bonds4

About 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one

6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 4522752) has the molecular formula C22H14Br2O3 and a molecular weight of 486.16 g/mol. Its IUPAC name is 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one
PubChem CID4522752
Molecular FormulaC22H14Br2O3
Molecular Weight486.16 g/mol
Exact Mass483.93
IUPAC Name6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3ccc(Br)cc3)ccc21
InChIInChI=1S/C22H14Br2O3/c23-16-5-1-14(2-6-16)11-21-22(25)19-10-9-18(12-20(19)27-21)26-13-15-3-7-17(24)8-4-15/h1-12H,13H2
InChIKeyVQFXLFGXRVZVQW-UHFFFAOYSA-N
XLogP6.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.16
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-6-[(4-bromophenyl)methoxy]-2-[(3-methylphenyl)methylidene]-1-benzofuran-3-one
CID 6532616
6-[(4-bromophenyl)methoxy]-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3810008
2-[(4-bromophenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 3904736
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
(2E)-2-[(4-ethylphenyl)methylidene]-6-phenylmethoxy-1-benzofuran-3-one
CID 2007737
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methylphenyl)methoxy]-1-benzofuran-3-one
CID 2021193
2-[(4-bromophenyl)methylidene]-6-[(2-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 3880430
6-phenylmethoxy-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 3974809
6-[(4-chlorophenyl)methoxy]-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 5265733
2-[(3-bromophenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 4861283
(2E)-2-[(4-tert-butylphenyl)methylidene]-6-[(4-chlorophenyl)methoxy]-1-benzofuran-3-one
CID 2021123
(2Z)-6-[(4-fluorophenyl)methoxy]-2-[(4-phenylphenyl)methylidene]-1-benzofuran-3-one
CID 6520363

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one (CID 4522752) is 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one is O=C1C(=Cc2ccc(Br)cc2)Oc2cc(OCc3ccc(Br)cc3)ccc21.
What is the InChIKey of 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is VQFXLFGXRVZVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Br2O3/c23-16-5-1-14(2-6-16)11-21-22(25)19-10-9-18(12-20(19)27-21)26-13-15-3-7-17(24)8-4-15/h1-12H,13H2.
What are the key properties of 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one?
6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 486.16 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromophenyl)methoxy]-2-[(4-bromophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 4522752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).