6-Bromo-3',5'-dimethylspiro[chroman-2,1'-cyclohexan]-4-one

HCID 58424488
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Basic information

Standard SMILES
CC1CC(C)CC2(CC(=O)c3cc(Br)ccc3O2)C1
InChIKey
CSXOXGLHVHQEII-UHFFFAOYSA-N
Molecular formula
C16H19BrO2
Average molar mass
323.22 g/mol
Monoisotopic mass
322.05684

Names & identifiers

Preferred name
6-Bromo-3',5'-dimethylspiro[chroman-2,1'-cyclohexan]-4-one
IUPAC
6-bromo-3',5'-dimethylspiro[3H-chromene-2,1'-cyclohexane]-4-one

Names & synonyms

SCHEMBL1824080CSXOXGLHVHQEII-UHFFFAOYSA-N6-bromo-3',5'-dimethylspiro[chroman-2,1'-cyclohexan]-4-one

Database identifiers

PubChem CID
58424488

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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