Basic information
- Standard SMILES
CC(C)c1ccc(C2(OC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)c(O)c1- InChIKey
QLEZTOZOVKGWDC-UHFFFAOYSA-N- Molecular formula
- C25H20O5
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.13107373
Names & identifiers
- Preferred name
- 2-(2-Hydroxy-4-isopropylphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl benzoate
- IUPAC
- [2-(2-hydroxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl] benzoate
Names & synonyms
SCHEMBL15642026QLEZTOZOVKGWDC-UHFFFAOYSA-N2-(2-Hydroxy-4-isopropylphenyl)-1,3-dioxo-2,3-dihydro-1H-inden-2-yl benzoate
Database identifiers
- PubChem CID
- 71476676
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 653
Related reactions
1 records
Compound notes
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