6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one

C24H18Cl2O5 — CID 5265875

IUPAC6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1OC
InChIInChI=1S/C24H18Cl2O5/c1-28-20-8-4-14(10-22(20)29-2)11-23-24(27)17-6-5-16(12-21(17)31-23)30-13-15-3-7-18(25)19(26)9-15/h3-12H,13H2,1-2H3
InChIKeyLPMGKODKHQZCCJ-UHFFFAOYSA-N
MW457.31 g/mol
LogP6.21
Rot. Bonds6

About 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one

6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one (PubChem CID 5265875) has the molecular formula C24H18Cl2O5 and a molecular weight of 457.31 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
PubChem CID5265875
Molecular FormulaC24H18Cl2O5
Molecular Weight457.31 g/mol
Exact Mass456.05
IUPAC Name6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1OC
InChIInChI=1S/C24H18Cl2O5/c1-28-20-8-4-14(10-22(20)29-2)11-23-24(27)17-6-5-16(12-21(17)31-23)30-13-15-3-7-18(25)19(26)9-15/h3-12H,13H2,1-2H3
InChIKeyLPMGKODKHQZCCJ-UHFFFAOYSA-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 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)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)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 6519974
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-fluorophenyl)methoxy]-1-benzofuran-3-one
CID 2005453
(2Z)-6-[(3-chlorophenyl)methoxy]-2-[(3,4-dichlorophenyl)methylidene]-1-benzofuran-3-one
CID 6220405
2-[(3,4-dimethoxyphenyl)methylidene]-6-[(2-methylphenyl)methoxy]-1-benzofuran-3-one
CID 5096301
(2Z)-2-[(3,4-dichlorophenyl)methylidene]-6-[(4-nitrophenyl)methoxy]-1-benzofuran-3-one
CID 2017519
(2Z)-6-[(3,4-dichlorophenyl)methoxy]-2-[(2-methylphenyl)methylidene]-1-benzofuran-3-one
CID 2019431
2-[[2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl]oxy]acetic acid
CID 4837017
(2Z)-2-[(4-ethylphenyl)methylidene]-6-[(4-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 6532638
2-[(3-chlorophenyl)methylidene]-6-[(3-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 4861252
6-[2-(4-chlorophenyl)-2-oxoethoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one
CID 3785166
(2Z)-6-[(4-chlorophenyl)methoxy]-2-[(2-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 19261037
2-cinnamylidene-6-[(3,4-dichlorophenyl)methoxy]-1-benzofuran-3-one
CID 4612897

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one (CID 5265875) is 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one is COc1ccc(C=C2Oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3C2=O)cc1OC.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one?
The InChIKey is LPMGKODKHQZCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2O5/c1-28-20-8-4-14(10-22(20)29-2)11-23-24(27)17-6-5-16(12-21(17)31-23)30-13-15-3-7-18(25)19(26)9-15/h3-12H,13H2,1-2H3.
What are the key properties of 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one?
6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-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 6-[(3,4-dichlorophenyl)methoxy]-2-[(3,4-dimethoxyphenyl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 5265875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).