(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one

C23H19NO2 — CID 11602565

IUPAC(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one
SMILESCCOc1ccccc1/C=C1/C(=O)Nc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C23H19NO2/c1-2-26-22-11-7-6-10-18(22)14-20-19-13-12-17(15-21(19)24-23(20)25)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,24,25)/b20-14+
InChIKeyHZQGEUCUAIGCJF-XSFVSMFZSA-N
MW341.41 g/mol
LogP5.24
Rot. Bonds4

About (3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one

(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one (PubChem CID 11602565) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one
PubChem CID11602565
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one
SMILESCCOc1ccccc1/C=C1/C(=O)Nc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C23H19NO2/c1-2-26-22-11-7-6-10-18(22)14-20-19-13-12-17(15-21(19)24-23(20)25)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,24,25)/b20-14+
InChIKeyHZQGEUCUAIGCJF-XSFVSMFZSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one (CID 11602565) is (3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one is CCOc1ccccc1/C=C1/C(=O)Nc2cc(-c3ccccc3)ccc21.
What is the InChIKey of (3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one?
The InChIKey is HZQGEUCUAIGCJF-XSFVSMFZSA-N. The full InChI is InChI=1S/C23H19NO2/c1-2-26-22-11-7-6-10-18(22)14-20-19-13-12-17(15-21(19)24-23(20)25)16-8-4-3-5-9-16/h3-15H,2H2,1H3,(H,24,25)/b20-14+.
What are the key properties of (3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one?
(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one has a molecular weight of 341.41 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one is sourced from PubChem (CID 11602565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).