Basic information
- Standard SMILES
CCCCC1(CCC(C)=O)Cc2c(ccc(OC)c2Cl)C1=O- InChIKey
PGTXOHRNYQRVMF-UHFFFAOYSA-N- Molecular formula
- C18H23ClO3
- Average molar mass
- 322.8 g/mol
Names & identifiers
- Preferred name
- 2-Butyl-4-chloro-5-methoxy-2-(3-oxobutyl)-1-indanone
- IUPAC
- 2-butyl-4-chloro-5-methoxy-2-(3-oxobutyl)-3H-inden-1-one
Names & synonyms
SCHEMBL2423478PGTXOHRNYQRVMF-UHFFFAOYSA-N2-butyl-4-chloro-5-methoxy-2-(3-oxobutyl)-1-indanone
Database identifiers
- PubChem CID
- 21990912
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Related reactions
2 records
Compound notes
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