Basic information
- Standard SMILES
OCc1cc(Br)cc(OCCCCCCCCC2OCCO2)c1- InChIKey
BNBPDNUFYDWRFK-UHFFFAOYSA-N- Molecular formula
- C18H27BrO4
- Average molar mass
- 387.3 g/mol
- Monoisotopic mass
- 386.10927
Names & identifiers
- Preferred name
- (3-((8-(1,3-Dioxolan-2-yl)octyl)oxy)-5-bromophenyl)methanol
- IUPAC
- [3-bromo-5-[8-(1,3-dioxolan-2-yl)octoxy]phenyl]methanol
Names & synonyms
SCHEMBL14166307BNBPDNUFYDWRFK-UHFFFAOYSA-N(3-((8-(1,3-Dioxolan-2-yl)octyl)oxy)-5-bromophenyl)methanol
Database identifiers
- PubChem CID
- 71093288
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 297
Related reactions
2 records
Compound notes
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