(2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one

C105H63BrCl3I3O14 — CID 159335607

IUPAC(2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)Oc2ccccc21.O=C1/C(=C/c2ccc(I)cc2)Oc2ccccc21.O=C1/C(=C/c2cccc(Cl)c2)Oc2ccccc21.O=C1/C(=C/c2cccc(I)c2)Oc2ccccc21.O=C1/C(=C/c2ccccc2Br)Oc2ccccc21.O=C1/C(=C/c2ccccc2Cl)Oc2ccccc21.O=C1/C(=C/c2ccccc2I)Oc2ccccc21
InChIInChI=1S/C15H9BrO2.3C15H9ClO2.3C15H9IO2/c2*16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14;16-11-5-3-4-10(8-11)9-14-15(17)12-6-1-2-7-13(12)18-14;16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14;16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14;16-11-5-3-4-10(8-11)9-14-15(17)12-6-1-2-7-13(12)18-14;16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h7*1-9H/b7*14-9-
InChIKeyLFMLGGFBBQZOLM-AIXKRMNISA-N
MW2115.62 g/mol
LogP27.66
Rot. Bonds7

About (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one

(2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one (PubChem CID 159335607) has the molecular formula C105H63BrCl3I3O14 and a molecular weight of 2115.62 g/mol. Its IUPAC name is (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one
PubChem CID159335607
Molecular FormulaC105H63BrCl3I3O14
Molecular Weight2115.62 g/mol
Exact Mass2111.96
IUPAC Name(2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one
SMILESO=C1/C(=C/c2ccc(Cl)cc2)Oc2ccccc21.O=C1/C(=C/c2ccc(I)cc2)Oc2ccccc21.O=C1/C(=C/c2cccc(Cl)c2)Oc2ccccc21.O=C1/C(=C/c2cccc(I)c2)Oc2ccccc21.O=C1/C(=C/c2ccccc2Br)Oc2ccccc21.O=C1/C(=C/c2ccccc2Cl)Oc2ccccc21.O=C1/C(=C/c2ccccc2I)Oc2ccccc21
InChIInChI=1S/C15H9BrO2.3C15H9ClO2.3C15H9IO2/c2*16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14;16-11-5-3-4-10(8-11)9-14-15(17)12-6-1-2-7-13(12)18-14;16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14;16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14;16-11-5-3-4-10(8-11)9-14-15(17)12-6-1-2-7-13(12)18-14;16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h7*1-9H/b7*14-9-
InChIKeyLFMLGGFBBQZOLM-AIXKRMNISA-N
XLogP27.66
TPSA184.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.62
LogP ≤ 527.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)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

(2E)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 127256784
(2E)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 24762442
(2Z)-2-[(3-chlorophenyl)methylidene]-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 6532552
(2E)-2-[(4-aminophenyl)methylidene]-1-benzofuran-3-one
CID 177443194
(2Z)-5-chloro-2-[(2-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 18823459
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
CID 14547034
(2Z)-5-chloro-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 18823473
(2E)-2-[(4-aminophenyl)methylidene]-5-iodo-1-benzofuran-3-one
CID 177399745
(2E)-2-[(3-chlorophenyl)methylidene]-5-methoxy-1-benzofuran-3-one
CID 11108930
(2Z)-2-[(3-chlorophenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylic acid
CID 97033870
(2Z)-5-chloro-2-[(4-fluorophenyl)methylidene]-1-benzofuran-3-one
CID 18823460
(2E)-5,7-dichloro-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 901884

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one (CID 159335607) is (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one is O=C1/C(=C/c2ccc(Cl)cc2)Oc2ccccc21.O=C1/C(=C/c2ccc(I)cc2)Oc2ccccc21.O=C1/C(=C/c2cccc(Cl)c2)Oc2ccccc21.O=C1/C(=C/c2cccc(I)c2)Oc2ccccc21.O=C1/C(=C/c2ccccc2Br)Oc2ccccc21.O=C1/C(=C/c2ccccc2Cl)Oc2ccccc21.O=C1/C(=C/c2ccccc2I)Oc2ccccc21.
What is the InChIKey of (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is LFMLGGFBBQZOLM-AIXKRMNISA-N. The full InChI is InChI=1S/C15H9BrO2.3C15H9ClO2.3C15H9IO2/c2*16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14;16-11-5-3-4-10(8-11)9-14-15(17)12-6-1-2-7-13(12)18-14;16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14;16-12-7-3-1-5-10(12)9-14-15(17)11-6-2-4-8-13(11)18-14;16-11-5-3-4-10(8-11)9-14-15(17)12-6-1-2-7-13(12)18-14;16-11-7-5-10(6-8-11)9-14-15(17)12-3-1-2-4-13(12)18-14/h7*1-9H/b7*14-9-.
What are the key properties of (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one?
(2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 2115.62 g/mol, XLogP of 27.66, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-bromophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-chlorophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(2-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(3-iodophenyl)methylidene]-1-benzofuran-3-one;(2Z)-2-[(4-iodophenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 159335607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).