4-(2-methoxyphenyl)-1H-indole-2,3-dione

C15H11NO3 — CID 141372249

IUPAC4-(2-methoxyphenyl)-1H-indole-2,3-dione
SMILESCOc1ccccc1-c1cccc2c1C(=O)C(=O)N2
InChIInChI=1S/C15H11NO3/c1-19-12-8-3-2-5-9(12)10-6-4-7-11-13(10)14(17)15(18)16-11/h2-8H,1H3,(H,16,17,18)
InChIKeyHUCSQVYYNOFJBF-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.50
Rot. Bonds2

About 4-(2-methoxyphenyl)-1H-indole-2,3-dione

4-(2-methoxyphenyl)-1H-indole-2,3-dione (PubChem CID 141372249) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1H-indole-2,3-dione
PubChem CID141372249
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name4-(2-methoxyphenyl)-1H-indole-2,3-dione
SMILESCOc1ccccc1-c1cccc2c1C(=O)C(=O)N2
InChIInChI=1S/C15H11NO3/c1-19-12-8-3-2-5-9(12)10-6-4-7-11-13(10)14(17)15(18)16-11/h2-8H,1H3,(H,16,17,18)
InChIKeyHUCSQVYYNOFJBF-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-[(4-methoxy-3-phenylphenyl)methylidene]-4-methyl-1H-indol-2-one
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5-bromo-4-methoxy-1H-indole-2,3-dione
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lithium isoindole-1,3-dione
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2,3-dioxo-1H-indole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1H-indole-2,3-dione?
The IUPAC name of 4-(2-methoxyphenyl)-1H-indole-2,3-dione (CID 141372249) is 4-(2-methoxyphenyl)-1H-indole-2,3-dione.
What is the SMILES notation for 4-(2-methoxyphenyl)-1H-indole-2,3-dione?
The canonical SMILES for 4-(2-methoxyphenyl)-1H-indole-2,3-dione is COc1ccccc1-c1cccc2c1C(=O)C(=O)N2.
What is the InChIKey of 4-(2-methoxyphenyl)-1H-indole-2,3-dione?
The InChIKey is HUCSQVYYNOFJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-19-12-8-3-2-5-9(12)10-6-4-7-11-13(10)14(17)15(18)16-11/h2-8H,1H3,(H,16,17,18).
What are the key properties of 4-(2-methoxyphenyl)-1H-indole-2,3-dione?
4-(2-methoxyphenyl)-1H-indole-2,3-dione has a molecular weight of 253.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1H-indole-2,3-dione is sourced from PubChem (CID 141372249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).