(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one

C24H18Cl2O3 — CID 6316610

IUPAC(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one
SMILESCc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1
InChIInChI=1S/C24H18Cl2O3/c1-14-6-7-15(2)16(10-14)13-28-17-8-9-18-22(11-17)29-23(24(18)27)12-19-20(25)4-3-5-21(19)26/h3-12H,13H2,1-2H3/b23-12-
InChIKeyGGRXBHRJLRRXQO-FMCGGJTJSA-N
MW425.31 g/mol
LogP6.81
Rot. Bonds4

About (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one

(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one (PubChem CID 6316610) has the molecular formula C24H18Cl2O3 and a molecular weight of 425.31 g/mol. Its IUPAC name is (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one
PubChem CID6316610
Molecular FormulaC24H18Cl2O3
Molecular Weight425.31 g/mol
Exact Mass424.06
IUPAC Name(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one
SMILESCc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1
InChIInChI=1S/C24H18Cl2O3/c1-14-6-7-15(2)16(10-14)13-28-17-8-9-18-22(11-17)29-23(24(18)27)12-19-20(25)4-3-5-21(19)26/h3-12H,13H2,1-2H3/b23-12-
InChIKeyGGRXBHRJLRRXQO-FMCGGJTJSA-N
XLogP6.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.31
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(2,5-dimethylphenyl)methoxy]-2-[(3-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 5265656
(2E)-6-[(2,5-dimethylphenyl)methoxy]-2-[(3-methylthiophen-2-yl)methylidene]-1-benzofuran-3-one
CID 2011537
6-[(2,5-dimethylphenyl)methoxy]-2-[(4-ethylphenyl)methylidene]-1-benzofuran-3-one
CID 3323511
2-[(2,4-dimethoxyphenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one
CID 3701326
(2Z)-6-[(2-methylphenyl)methoxy]-2-[(3-methylphenyl)methylidene]-1-benzofuran-3-one
CID 6532546
2-[(2-chloro-6-fluorophenyl)methylidene]-6-[(2,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265857
2-[(2-chloro-6-fluorophenyl)methylidene]-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265797
2-[[(2Z)-2-[(2,6-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetonitrile
CID 2033056
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one
CID 2027367
2-benzylidene-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5265515
(2Z)-6-[(2,4-dichlorophenyl)methoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 19261054
(2E)-6-[(2,6-dichlorophenyl)methoxy]-2-[(5-methylfuran-2-yl)methylidene]-1-benzofuran-3-one
CID 2000116

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one?
The IUPAC name of (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one (CID 6316610) is (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one is Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1.
What is the InChIKey of (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one?
The InChIKey is GGRXBHRJLRRXQO-FMCGGJTJSA-N. The full InChI is InChI=1S/C24H18Cl2O3/c1-14-6-7-15(2)16(10-14)13-28-17-8-9-18-22(11-17)29-23(24(18)27)12-19-20(25)4-3-5-21(19)26/h3-12H,13H2,1-2H3/b23-12-.
What are the key properties of (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one?
(2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one has a molecular weight of 425.31 g/mol, XLogP of 6.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,6-dichlorophenyl)methylidene]-6-[(2,5-dimethylphenyl)methoxy]-1-benzofuran-3-one is sourced from PubChem (CID 6316610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).