2-(3-Bromo-4-methoxyphenyl)-5,5-dimethyl-1,3-dioxane

HCID 849435

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

Related reactions

8 records

Compound notes

Loading…