5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione

C15H9Cl2NO3 — CID 155528022

IUPAC5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2C1=O
InChIInChI=1S/C15H9Cl2NO3/c16-11-3-1-8(5-12(11)17)7-21-9-2-4-13-10(6-9)14(19)15(20)18-13/h1-6H,7H2,(H,18,19,20)
InChIKeyCOGUXNVSSWXUCN-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.71
Rot. Bonds3

About 5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione

5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione (PubChem CID 155528022) has the molecular formula C15H9Cl2NO3 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione
PubChem CID155528022
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2C1=O
InChIInChI=1S/C15H9Cl2NO3/c16-11-3-1-8(5-12(11)17)7-21-9-2-4-13-10(6-9)14(19)15(20)18-13/h1-6H,7H2,(H,18,19,20)
InChIKeyCOGUXNVSSWXUCN-UHFFFAOYSA-N
XLogP3.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione?
The IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione (CID 155528022) is 5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione is O=C1Nc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2C1=O.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione?
The InChIKey is COGUXNVSSWXUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3/c16-11-3-1-8(5-12(11)17)7-21-9-2-4-13-10(6-9)14(19)15(20)18-13/h1-6H,7H2,(H,18,19,20).
What are the key properties of 5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione?
5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione has a molecular weight of 322.15 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methoxy]-1H-indole-2,3-dione is sourced from PubChem (CID 155528022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).