(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one

C17H15NO4 — CID 44582277

IUPAC(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C/c1ccc(OC)c(O)c1
InChIInChI=1S/C17H15NO4/c1-21-11-4-5-12-13(17(20)18-14(12)9-11)7-10-3-6-16(22-2)15(19)8-10/h3-9,19H,1-2H3,(H,18,20)/b13-7+
InChIKeyHWRMDTQMWAGGTH-NTUHNPAUSA-N
MW297.31 g/mol
LogP2.90
Rot. Bonds3

About (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one

(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one (PubChem CID 44582277) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
PubChem CID44582277
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C/c1ccc(OC)c(O)c1
InChIInChI=1S/C17H15NO4/c1-21-11-4-5-12-13(17(20)18-14(12)9-11)7-10-3-6-16(22-2)15(19)8-10/h3-9,19H,1-2H3,(H,18,20)/b13-7+
InChIKeyHWRMDTQMWAGGTH-NTUHNPAUSA-N
XLogP2.90
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Avenanthramide E
CID 10245047
(3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 11544661
(3E)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 947879
Avenanthramide 2
CID 101228785
N-(3-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669571
3-[(4-hydroxy-3-methoxy-5-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one
CID 16413182
(Z)-3-(4-hydroxy-3,5-dimethoxybenzylidene)indolin-2-one
CID 2437106
5,6-Dimethoxyindolin-2-one
CID 222993
N-(3-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 1234617
3-(4-Hydroxybenzylidene)-5,6-dimethoxyindolin-2-one
CID 1749976
Curcumin 5-8
CID 9321431
(Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(selenophen-2-ylmethylene)indolin-2-one
CID 44184233

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one?
The IUPAC name of (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one (CID 44582277) is (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one is COc1ccc2c(c1)NC(=O)/C2=C/c1ccc(OC)c(O)c1.
What is the InChIKey of (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one?
The InChIKey is HWRMDTQMWAGGTH-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-11-4-5-12-13(17(20)18-14(12)9-11)7-10-3-6-16(22-2)15(19)8-10/h3-9,19H,1-2H3,(H,18,20)/b13-7+.
What are the key properties of (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one?
(3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one is sourced from PubChem (CID 44582277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).