Basic information
- CAS
88952-40-3- Standard SMILES
Cc1ccccc1C(=O)CC(=O)c1cc(Cl)ccc1O- InChIKey
WDPSILGFVFUKMA-UHFFFAOYSA-N- Molecular formula
- C16H13ClO3
- Average molar mass
- 288.72 g/mol
- Monoisotopic mass
- 288.055322
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-hydroxyphenyl)-3-(2-methylphenyl)propane-1,3-dione
- IUPAC
- 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)propane-1,3-dione
Names & synonyms
88952-40-31-(5-Chloro-2-hydroxyphenyl)-3-(2-methylphenyl)propane-1,3-dione1,3-Propanedione, 1-(5-chloro-2-hydroxyphenyl)-3-(2-methylphenyl)-DTXSID30526041MFCD31618165AKOS037655208NS-001021-(5-chloro-2-hydroxy-phenyl)-3-(o-tolyl)propane-1,3-dione
Database identifiers
- CAS
88952-40-3- PubChem CID
- 13190840
- DTXSID
DTXSID30526041
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…