Basic information
- Standard SMILES
CCCCC1Cc2c(ccc(OC)c2Cl)C1=O- InChIKey
IIKCTLBVEGZYDR-UHFFFAOYSA-N- Molecular formula
- C14H17ClO2
- Average molar mass
- 252.73 g/mol
- Monoisotopic mass
- 252.0917075
Names & identifiers
- Preferred name
- 2-Butyl-4-chloro-5-methoxy-1-indanone
- IUPAC
- 2-butyl-4-chloro-5-methoxy-2,3-dihydroinden-1-one
Names & synonyms
SCHEMBL2417918IIKCTLBVEGZYDR-UHFFFAOYSA-N2-butyl-4-chloro-5-methoxy-1-indanone
Database identifiers
- PubChem CID
- 21990917
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 279
Related reactions
6 records
Compound notes
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