2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
Basic information
- CAS
15982-14-6- Standard SMILES
CC1(C)C=C(C(Cl)c2ccccc2)C(=O)c2ccccc21- InChIKey
MEUGGVYERMFJGJ-UHFFFAOYSA-N- Molecular formula
- C19H17ClO
- Average molar mass
- 296.8 g/mol
- Monoisotopic mass
- 296.0967929
Names & identifiers
- Preferred name
- 2-[Chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
- IUPAC
- 2-[chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1-one
Names & synonyms
15982-14-6NSC1503372-[chloro(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-oneDTXSID50302344NSC-150337
Database identifiers
- CAS
15982-14-6- PubChem CID
- 288959
- DTXSID
DTXSID50302344
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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