Basic information
- CAS
5330-85-8- Standard SMILES
CCCCOCC(=O)c1ccc(O)cc1O- InChIKey
JQAJQDOURDCSQT-UHFFFAOYSA-N- Molecular formula
- C12H16O4
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.10485899
Names & identifiers
- Preferred name
- 2-Butoxy-1-(2,4-dihydroxyphenyl)ethanone
- IUPAC
- 2-butoxy-1-(2,4-dihydroxyphenyl)ethanone
Names & synonyms
5330-85-82-butoxy-1-(2,4-dihydroxyphenyl)ethanoneNSC25304-(BUTOXYACETYL)-1,3-DIHYDROXYBENZENEDTXSID30277485NSC 2530NSC-25302-Butoxy-1-(2,4-dihydroxyphenyl)ethan-1-one
Database identifiers
- CAS
5330-85-8- PubChem CID
- 220176
- DTXSID
DTXSID30277485
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 217
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…