Basic information
- CAS
612483-08-6- Standard SMILES
COc1cc(Br)c(C2OCCCO2)cc1OCc1ccccc1- InChIKey
VWFRTUVWZBXUBN-UHFFFAOYSA-N- Molecular formula
- C18H19BrO4
- Average molar mass
- 379.2 g/mol
- Monoisotopic mass
- 378.04667
Names & identifiers
- Preferred name
- 2-[5-(Benzyloxy)-2-bromo-4-methoxyphenyl]-1,3-dioxane
- IUPAC
- 2-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-1,3-dioxane
Names & synonyms
NSC619873CHEMBL19738092-[5-(benzyloxy)-2-bromo-4-methoxyphenyl]-1,3-dioxane2-[2-Bromo-4-methoxy-5-(phenylmethoxy)phenyl]-1,3-dioxaneDTXSID501195912NSC-619873612483-08-6NCI60_005835
Database identifiers
- CAS
612483-08-6- PubChem CID
- 359191
- DTXSID
DTXSID501195912- ChEMBL
CHEMBL1973809
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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