Basic information
- Standard SMILES
C/C=C1\C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1=O- InChIKey
XIVAGBNAKWSANZ-KVLLTZDESA-N- Molecular formula
- C18H14Cl2O
- Average molar mass
- 317.2 g/mol
Names & identifiers
- Preferred name
- (S,E)-4-(3,4-dichlorophenyl)-2-ethylidene-3,4-dihydronaphthalen-1(2H)-one
- IUPAC
- (2E,4S)-4-(3,4-dichlorophenyl)-2-ethylidene-3,4-dihydronaphthalen-1-one
Names & synonyms
SCHEMBL813106XIVAGBNAKWSANZ-KVLLTZDESA-N(S,E)-4-(3,4-dichlorophenyl)-2-ethylidene-3,4-dihydronaphthalen-1(2H)-one
Database identifiers
- PubChem CID
- 58950737
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Related reactions
3 records
Compound notes
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