Basic information
- CAS
332103-26-1- Standard SMILES
Cc1ccc(O)c(C(=O)CC(=O)c2ccc(F)cc2)c1- InChIKey
XHBQVCVRNFUZAO-UHFFFAOYSA-N- Molecular formula
- C16H13FO3
- Average molar mass
- 272.27 g/mol
- Monoisotopic mass
- 272.08487243
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
- IUPAC
- 1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
Names & synonyms
Oprea1_485864Oprea1_532669DTXSID6011730241-(4-Fluorophenyl)-3-(2-hydroxy-5-methylphenyl)-1,3-propanedione1-(4-fluorophenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dioneAKOS005159301WAY-299908332103-26-1SR-01000313781SR-01000313781-1
Database identifiers
- CAS
332103-26-1- PubChem CID
- 776166
- DTXSID
DTXSID601173024
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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