3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one

C23H19NO2 — CID 54410054

IUPAC3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one
SMILESCOc1ccc(C=C2C(=O)Nc3cccc(C)c32)cc1-c1ccccc1
InChIInChI=1S/C23H19NO2/c1-15-7-6-10-20-22(15)19(23(25)24-20)14-16-11-12-21(26-2)18(13-16)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,25)
InChIKeyVTMBOBCMCKXMLN-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.16
Rot. Bonds3

About 3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one

3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one (PubChem CID 54410054) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one
PubChem CID54410054
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one
SMILESCOc1ccc(C=C2C(=O)Nc3cccc(C)c32)cc1-c1ccccc1
InChIInChI=1S/C23H19NO2/c1-15-7-6-10-20-22(15)19(23(25)24-20)14-16-11-12-21(26-2)18(13-16)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,25)
InChIKeyVTMBOBCMCKXMLN-UHFFFAOYSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.16
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 3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one?
The IUPAC name of 3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one (CID 54410054) is 3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one.
What is the SMILES notation for 3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one?
The canonical SMILES for 3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one is COc1ccc(C=C2C(=O)Nc3cccc(C)c32)cc1-c1ccccc1.
What is the InChIKey of 3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one?
The InChIKey is VTMBOBCMCKXMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-15-7-6-10-20-22(15)19(23(25)24-20)14-16-11-12-21(26-2)18(13-16)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,25).
What are the key properties of 3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one?
3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one has a molecular weight of 341.41 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one is sourced from PubChem (CID 54410054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).