Basic information
- Standard SMILES
O=C1C(=Cc2ccc(Cl)cc2)Cc2ccccc21- InChIKey
WCCMOJFVRKHFBN-UHFFFAOYSA-N- Molecular formula
- C16H11ClO
- Average molar mass
- 254.71 g/mol
- Monoisotopic mass
- 254.0498427
Names & identifiers
- Preferred name
- 2-(p-Chlorobenzylidene)-1-indanone
- IUPAC
- 2-[(4-chlorophenyl)methylidene]-3H-inden-1-one
Names & synonyms
MLS003389161Maybridge1_007509SCHEMBL3698777CHEMBL2143225WCCMOJFVRKHFBN-UHFFFAOYSA-N2-(p-Chlorobenzylidene)-1-indanone2-(4-chlorobenzylidene)indan-1-oneAKOS034380550SMR002048829
Database identifiers
- PubChem CID
- 367217
- ChEMBL
CHEMBL2143225
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
5 records
Compound notes
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