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

C24H18Cl2O5 — CID 2025832

IUPAC(2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc(OC)c(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)c1
InChIInChI=1S/C24H18Cl2O5/c1-28-15-7-9-21(29-2)14(10-15)11-23-24(27)17-8-6-16(12-22(17)31-23)30-13-18-19(25)4-3-5-20(18)26/h3-12H,13H2,1-2H3/b23-11-
InChIKeyXQJLQWKUYGZQDU-KSEXSDGBSA-N
MW457.31 g/mol
LogP6.21
Rot. Bonds6

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

(2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 2025832) has the molecular formula C24H18Cl2O5 and a molecular weight of 457.31 g/mol. Its IUPAC name is (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID2025832
Molecular FormulaC24H18Cl2O5
Molecular Weight457.31 g/mol
Exact Mass456.05
IUPAC Name(2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc(OC)c(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)c1
InChIInChI=1S/C24H18Cl2O5/c1-28-15-7-9-21(29-2)14(10-15)11-23-24(27)17-8-6-16(12-22(17)31-23)30-13-18-19(25)4-3-5-20(18)26/h3-12H,13H2,1-2H3/b23-11-
InChIKeyXQJLQWKUYGZQDU-KSEXSDGBSA-N
XLogP6.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.31
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one with MolForge

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Related Compounds

(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 6535206
6-[(3-chlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3691846
2-[(2,5-dimethoxyphenyl)methylidene]-6-[(2,3,4,5,6-pentafluorophenyl)methoxy]-1-benzofuran-3-one
CID 5266097
2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(3-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 4861249
2-benzylidene-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 5265805
(2Z)-2-benzylidene-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 19261053
(2Z)-6-[(2-chloro-6-fluorophenyl)methoxy]-2-[(2-chlorophenyl)methylidene]-1-benzofuran-3-one
CID 19261098
(2Z)-2-[(3-chlorophenyl)methylidene]-6-[(2,6-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 6532552
(2E)-2-[(2,5-dimethoxyphenyl)methylidene]-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-one
CID 176731629
(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]-6-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-3-one
CID 118723588
(2E)-6-[(2,6-dichlorophenyl)methoxy]-2-[(5-methylfuran-2-yl)methylidene]-1-benzofuran-3-one
CID 2000116
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 6519974

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one (CID 2025832) is (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one is COc1ccc(OC)c(/C=C2\Oc3cc(OCc4c(Cl)cccc4Cl)ccc3C2=O)c1.
What is the InChIKey of (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is XQJLQWKUYGZQDU-KSEXSDGBSA-N. The full InChI is InChI=1S/C24H18Cl2O5/c1-28-15-7-9-21(29-2)14(10-15)11-23-24(27)17-8-6-16(12-22(17)31-23)30-13-18-19(25)4-3-5-20(18)26/h3-12H,13H2,1-2H3/b23-11-.
What are the key properties of (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one?
(2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one has a molecular weight of 457.31 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-[(2,6-dichlorophenyl)methoxy]-2-[(2,5-dimethoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 2025832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).