(3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one

C21H15NO2 — CID 42613090

IUPAC(3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H15NO2/c23-21-19(18-11-4-5-12-20(18)22-21)14-15-7-6-10-17(13-15)24-16-8-2-1-3-9-16/h1-14H,(H,22,23)/b19-14+
InChIKeySDHIVYBWQHVMKJ-XMHGGMMESA-N
MW313.36 g/mol
LogP4.97
Rot. Bonds3

About (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one

(3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 42613090) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID42613090
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name(3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H15NO2/c23-21-19(18-11-4-5-12-20(18)22-21)14-15-7-6-10-17(13-15)24-16-8-2-1-3-9-16/h1-14H,(H,22,23)/b19-14+
InChIKeySDHIVYBWQHVMKJ-XMHGGMMESA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.97
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'}

Analyze (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one (CID 42613090) is (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is SDHIVYBWQHVMKJ-XMHGGMMESA-N. The full InChI is InChI=1S/C21H15NO2/c23-21-19(18-11-4-5-12-20(18)22-21)14-15-7-6-10-17(13-15)24-16-8-2-1-3-9-16/h1-14H,(H,22,23)/b19-14+.
What are the key properties of (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 313.36 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 42613090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).