2-[Bromo(2-methylphenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
Basic information
- CAS
30765-46-9- Standard SMILES
Cc1ccccc1C(Br)C1=CC(C)(C)c2ccccc2C1=O- InChIKey
RKZOEFRPIITFLS-UHFFFAOYSA-N- Molecular formula
- C20H19BrO
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 354.06193
Names & identifiers
- Preferred name
- 2-[Bromo(2-methylphenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
- IUPAC
- 2-[bromo-(2-methylphenyl)methyl]-4,4-dimethylnaphthalen-1-one
Names & synonyms
30765-46-92-[bromo(2-methylphenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-oneNSC150333DTXSID90302343NSC-150333
Database identifiers
- CAS
30765-46-9- PubChem CID
- 288955
- DTXSID
DTXSID90302343
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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