Basic information
- Standard SMILES
CC1=CC(C)(C)Oc2cc(OCCBr)ccc21- InChIKey
UBXUESSWMYFYAL-UHFFFAOYSA-N- Molecular formula
- C14H17BrO2
- Average molar mass
- 297.19 g/mol
Names & identifiers
- Preferred name
- 2,2,4-trimethyl-7-(2'-bromo-ethyl-oxy)-(2H)-chromene
- IUPAC
- 7-(2-bromoethoxy)-2,2,4-trimethylchromene
Names & synonyms
SCHEMBL10531200UBXUESSWMYFYAL-UHFFFAOYSA-N2,2,4-trimethyl-7-(2'-bromo-ethyl-oxy)-(2H)-chromene
Database identifiers
- PubChem CID
- 20199963
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 299
Related reactions
2 records
Compound notes
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