6-bromo-4-isopropyl-7-methoxy-2,2-dimethyl-2H-chromene
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Basic information
- Standard SMILES
COc1cc2c(cc1Br)C(C(C)C)=CC(C)(C)O2- InChIKey
TWCBULNZCXMEOP-UHFFFAOYSA-N- Molecular formula
- C15H19BrO2
- Average molar mass
- 311.21 g/mol
- Monoisotopic mass
- 310.05684
Names & identifiers
- Preferred name
- 6-bromo-4-isopropyl-7-methoxy-2,2-dimethyl-2H-chromene
- IUPAC
- 6-bromo-7-methoxy-2,2-dimethyl-4-propan-2-ylchromene
Names & synonyms
SCHEMBL6281761TWCBULNZCXMEOP-UHFFFAOYSA-N6-bromo-4-isopropyl-7-methoxy-2,2-dimethyl-2H-chromene6-Bromo-4-isopropyl-7methoxy-2,2-dimethyl-2H-chromene
Database identifiers
- PubChem CID
- 22490887
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Related reactions
3 records
Compound notes
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