1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)
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Basic information
- CAS
3145-11-7- Standard SMILES
CCC(=O)c1c(O)cc(O)c(C(=O)CC)c1O- InChIKey
MAULNQUCMOQLDU-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412354
Names & identifiers
- Preferred name
- 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)
- IUPAC
- 1-(2,4,6-trihydroxy-3-propanoylphenyl)propan-1-one
- English name
- 1,1'-(2,4,6-Trihydroxy-1,3-phenylene)bis(1-propanone)
- Molecular weight
- 0
Names & synonyms
3145-11-7DTXSID503462431,1'-(2,4,6-Trihydroxy-1,3-phenylene)di(propan-1-one)RefChem:211945DTXCID402973161-Propanone, 1,1'-(2,4,6-trihydroxy-m-phenylene)di-CHEMBL19655MAULNQUCMOQLDU-UHFFFAOYSA-N1,1'-(2,4,6-Trihydroxy-1,3-phenylene)bis(1-propanone)1,1'-(2,4,6-trihydroxy-1,3-phenylene)bis-1-propanone
Database identifiers
- CAS
3145-11-7- PubChem CID
- 610641
- DTXSID
DTXSID50346243- ChEMBL
CHEMBL19655- Nikkaji
- J99.855I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 152 · 152–154°C
Chemistry & industry
Preparation methods
PreparationObtained by reaction of phloroglucinol with propionic anhydride, by heating in the presence of concentrated sulfuric acid; in the presence of boron trifluoride etherate at reflux for 4 h.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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