Basic information
- CAS
3361-17-9- Standard SMILES
CC(=O)c1c(O)cccc1OCC(C)O- InChIKey
XUCAYUZOQRDJRZ-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- 1-[2-Hydroxy-6-(2-hydroxypropoxy)phenyl]ethanone
- IUPAC
- 1-[2-hydroxy-6-(2-hydroxypropoxy)phenyl]ethanone
Names & synonyms
3361-17-91-[2-hydroxy-6-(2-hydroxypropoxy)phenyl]ethanone1-(2-Hydroxy-6-(2-hydroxypropoxy)phenyl)ethanoneEthanone, 1-[2-hydroxy-6-(2-hydroxypropoxy)phenyl]-1-[2-hydroxy-6-(2-hydroxypropoxy)phenyl]ethan-1-oneSCHEMBL11629878DTXSID20342954
Database identifiers
- CAS
3361-17-9- PubChem CID
- 586161
- DTXSID
DTXSID20342954
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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