(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one

C17H15NO4 — CID 2437106

IUPAC(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(OC)c1O
InChIInChI=1S/C17H15NO4/c1-21-14-8-10(9-15(22-2)16(14)19)7-12-11-5-3-4-6-13(11)18-17(12)20/h3-9,19H,1-2H3,(H,18,20)/b12-7-
InChIKeyYSERLISPSDGHNH-GHXNOFRVSA-N
MW297.31 g/mol
LogP2.90
Rot. Bonds3

About (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 2437106) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID2437106
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(OC)c1O
InChIInChI=1S/C17H15NO4/c1-21-14-8-10(9-15(22-2)16(14)19)7-12-11-5-3-4-6-13(11)18-17(12)20/h3-9,19H,1-2H3,(H,18,20)/b12-7-
InChIKeyYSERLISPSDGHNH-GHXNOFRVSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one (CID 2437106) is (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one is COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(OC)c1O.
What is the InChIKey of (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is YSERLISPSDGHNH-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-14-8-10(9-15(22-2)16(14)19)7-12-11-5-3-4-6-13(11)18-17(12)20/h3-9,19H,1-2H3,(H,18,20)/b12-7-.
What are the key properties of (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-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 (3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 2437106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).