Basic information
- Standard SMILES
COc1ccc(C2OCC(C)(C)CO2)cc1Br- InChIKey
FTYNTOQCCHAXGR-UHFFFAOYSA-N- Molecular formula
- C13H17BrO3
- Average molar mass
- 301.18 g/mol
Names & identifiers
- Preferred name
- 2-(3-Bromo-4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane
- IUPAC
- 2-(3-bromo-4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane
Names & synonyms
2-(3-bromo-4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane179942-58-6FTYNTOQCCHAXGR-UHFFFAOYSA-NSCHEMBL642956DB-337572AO-638/417463722-(3-Bromo-4-methoxyphenyl)-5,5-dimethyl[1,3]dioxane2-(3-bromo-4-methoxy-phenyl)-5,5-dimethyl-[1,3]dioxane2-(3-Bromo-4-methoxyphenyl)-5,5-dimethyl-[1,3]dioxane2-bromo-4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl methyl ether
Database identifiers
- PubChem CID
- 849435
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 247
Related reactions
8 records
Compound notes
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