Basic information
- Standard SMILES
O=C(c1ccccc1)c1ccc(OCC(CO)(CO)CBr)cc1- InChIKey
TYRWLRURGIWIIP-UHFFFAOYSA-N- Molecular formula
- C18H19BrO4
- Average molar mass
- 379.2 g/mol
Names & identifiers
- Preferred name
- {4-[3-Bromo-2,2-bis(hydroxymethyl)propoxy]phenyl}(phenyl)methanone
- IUPAC
- [4-[2-(bromomethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]phenyl]-phenylmethanone
Names & synonyms
SCHEMBL15392362TYRWLRURGIWIIP-UHFFFAOYSA-N{4-[3-bromo-2,2-bis(hydroxymethyl)propoxy]phenyl}(phenyl)methanone
Database identifiers
- PubChem CID
- 89907389
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 356
Related reactions
2 records
Compound notes
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