Basic information
- Standard SMILES
CCCc1c(OCCCBr)ccc(C(=O)OC)c1O- InChIKey
JTQGMRKUFLQABH-UHFFFAOYSA-N- Molecular formula
- C14H19BrO4
- Average molar mass
- 331.2 g/mol
- Monoisotopic mass
- 330.04667
Names & identifiers
- Preferred name
- 4-(3-Bromopropoxy)-2-hydroxy-3-propylbenzoic acid methyl ester
- IUPAC
- methyl 4-(3-bromopropoxy)-2-hydroxy-3-propylbenzoate
Names & synonyms
SCHEMBL9042867JTQGMRKUFLQABH-UHFFFAOYSA-N4-(3-bromopropoxy)-2-hydroxy-3-propylbenzoic acid methyl ester
Database identifiers
- PubChem CID
- 53974045
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 272
Related reactions
2 records
Compound notes
Loading…