6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one

C19H15NO4 — CID 69003793

IUPAC6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)OC(=Cc1c[nH]c3ccc(OC)cc13)C2=O
InChIInChI=1S/C19H15NO4/c1-22-12-4-6-16-15(8-12)11(10-20-16)7-18-19(21)14-5-3-13(23-2)9-17(14)24-18/h3-10,20H,1-2H3
InChIKeyYMHNHNWCMGESKD-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.80
Rot. Bonds3

About 6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one

6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one (PubChem CID 69003793) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
PubChem CID69003793
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
SMILESCOc1ccc2c(c1)OC(=Cc1c[nH]c3ccc(OC)cc13)C2=O
InChIInChI=1S/C19H15NO4/c1-22-12-4-6-16-15(8-12)11(10-20-16)7-18-19(21)14-5-3-13(23-2)9-17(14)24-18/h3-10,20H,1-2H3
InChIKeyYMHNHNWCMGESKD-UHFFFAOYSA-N
XLogP3.80
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-6-carboxamide
CID 67028477
(2Z)-2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-5-carbonitrile
CID 69000083
[2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 3-methoxybenzoate
CID 3601084
methyl N-[[(2Z)-2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-5-yl]carbamoyl]carbamate
CID 140544856
2-[(3,5-dimethoxyphenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 85064486
[2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 5-methoxy-2-phenyl-1-benzofuran-3-carboxylate
CID 5159697
(2Z)-6-methoxy-2-(naphthalen-1-ylmethylidene)-1-benzofuran-3-one
CID 5378595
2-(1H-indol-3-ylmethylidene)-6-(2-methylprop-2-enoxy)-1-benzofuran-3-one
CID 3778988
1-butyl-3-[2-[(5-methoxy-1H-indol-3-yl)methylidene]-3-oxo-1-benzofuran-5-yl]urea
CID 67028146
(2E)-2-[(2-aminophenyl)methylidene]-6-methoxy-1-benzofuran-3-one
CID 177440525
[2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate
CID 3712007
(2Z)-2-benzylidene-6-methoxy-1-benzofuran-3-one
CID 642380

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
The IUPAC name of 6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one (CID 69003793) is 6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one.
What is the SMILES notation for 6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
The canonical SMILES for 6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one is COc1ccc2c(c1)OC(=Cc1c[nH]c3ccc(OC)cc13)C2=O.
What is the InChIKey of 6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
The InChIKey is YMHNHNWCMGESKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-22-12-4-6-16-15(8-12)11(10-20-16)7-18-19(21)14-5-3-13(23-2)9-17(14)24-18/h3-10,20H,1-2H3.
What are the key properties of 6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one?
6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one has a molecular weight of 321.33 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(5-methoxy-1H-indol-3-yl)methylidene]-1-benzofuran-3-one is sourced from PubChem (CID 69003793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).