(2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one

C26H19Cl2NO3 — CID 35494107

IUPAC(2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCc1c(OCc2ccc(Cl)cc2Cl)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O
InChIInChI=1S/C26H19Cl2NO3/c1-15-23(31-14-16-7-8-18(27)12-21(16)28)10-9-20-25(30)24(32-26(15)20)11-17-13-29(2)22-6-4-3-5-19(17)22/h3-13H,14H2,1-2H3/b24-11-
InChIKeyQFXMEOSEUWCJDB-MYKKPKGFSA-N
MW464.35 g/mol
LogP6.99
Rot. Bonds4

About (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one

(2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one (PubChem CID 35494107) has the molecular formula C26H19Cl2NO3 and a molecular weight of 464.35 g/mol. Its IUPAC name is (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name(2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
PubChem CID35494107
Molecular FormulaC26H19Cl2NO3
Molecular Weight464.35 g/mol
Exact Mass463.07
IUPAC Name(2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCc1c(OCc2ccc(Cl)cc2Cl)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O
InChIInChI=1S/C26H19Cl2NO3/c1-15-23(31-14-16-7-8-18(27)12-21(16)28)10-9-20-25(30)24(32-26(15)20)11-17-13-29(2)22-6-4-3-5-19(17)22/h3-13H,14H2,1-2H3/b24-11-
InChIKeyQFXMEOSEUWCJDB-MYKKPKGFSA-N
XLogP6.99
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.35
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)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-[(2,5-dimethylphenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 35494042
(2Z)-6-[(2-chlorophenyl)methoxy]-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-1-benzofuran-3-one
CID 35494048
(2Z)-2-[(1-ethylindol-3-yl)methylidene]-6-[(2-methoxyphenyl)methoxy]-7-methyl-1-benzofuran-3-one
CID 35494026
6-hydroxy-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 53411431
(2Z)-6-[(2,5-dimethylphenyl)methoxy]-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-7-methyl-1-benzofuran-3-one
CID 35493989
(2Z)-6-[(4-bromophenyl)methoxy]-2-[(1-ethylindol-3-yl)methylidene]-7-methyl-1-benzofuran-3-one
CID 35494133
(2Z)-6-[(3-chlorophenyl)methoxy]-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one
CID 35493973
ethyl 2-[[(2Z)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-7-methyl-3-oxo-1-benzofuran-6-yl]oxy]acetate
CID 35494167
(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-6-[(2,6-dichlorophenyl)methoxy]-7-methyl-1-benzofuran-3-one
CID 95398598
(7Z)-3-[2-(2,4-dichlorophenyl)ethyl]-7-[(2,3-dimethoxyphenyl)methylidene]-9-methyl-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 95399608
(2Z)-6-[(2-chloro-4-fluorophenyl)methoxy]-2-[[4-(diethylamino)phenyl]methylidene]-7-methyl-1-benzofuran-3-one
CID 95023394
(2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-7-methyl-6-phenylmethoxy-1-benzofuran-3-one
CID 35494067

Frequently Asked Questions

What is the IUPAC name of (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one (CID 35494107) is (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one is Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c1O/C(=C\c1cn(C)c3ccccc13)C2=O.
What is the InChIKey of (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is QFXMEOSEUWCJDB-MYKKPKGFSA-N. The full InChI is InChI=1S/C26H19Cl2NO3/c1-15-23(31-14-16-7-8-18(27)12-21(16)28)10-9-20-25(30)24(32-26(15)20)11-17-13-29(2)22-6-4-3-5-19(17)22/h3-13H,14H2,1-2H3/b24-11-.
What are the key properties of (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one?
(2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 464.35 g/mol, XLogP of 6.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-[(2,4-dichlorophenyl)methoxy]-7-methyl-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 35494107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).