Basic information
- Standard SMILES
COc1ccc(NC2=C(C)C(=O)CC2)cc1OC1Cc2ccccc2C1- InChIKey
NLQZUBMEIVIHSM-UHFFFAOYSA-N- Molecular formula
- C22H23NO3
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-(2-Indanyloxy)-4-methoxyanilino]-2-methyl-2-cyclopenten-1-one
- IUPAC
- 3-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyanilino]-2-methylcyclopent-2-en-1-one
Names & synonyms
SCHEMBL2979730NLQZUBMEIVIHSM-UHFFFAOYSA-N3-[3-(2-indanyloxy)-4-methoxyanilino]-2-methyl-2-cyclopenten-1-one
Database identifiers
- PubChem CID
- 9863185
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 544
Related reactions
3 records
Compound notes
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