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Basic information
- Standard SMILES
CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4cc(Cl)cc(Cl)c4)ccc32)cc1- InChIKey
ZQDQJNYKEHPNHY-UHFFFAOYSA-N- Molecular formula
- C24H19Cl2NO3
- Average molar mass
- 440.3 g/mol
Names & identifiers
- Preferred name
- 5-(3.5-Dichlorophenyl)-1-(4-isopropoxyphenyl)-1H-indole-2-carboxylic acid
- IUPAC
- 5-(3,5-dichlorophenyl)-1-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
Names & synonyms
SCHEMBL3573824ZQDQJNYKEHPNHY-UHFFFAOYSA-N5-(3.5-Dichlorophenyl)-1-(4-isopropoxyphenyl)-1H-indole-2-carboxylic acid
Database identifiers
- PubChem CID
- 68697992
Properties
Computed structural propertiesFilling in
- XLogP
- 7.2
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
Related reactions
1 records
Compound notes
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