Basic information
- CAS
88952-39-0- Standard SMILES
COc1ccc(C(=O)CC(=O)c2cc(Cl)ccc2O)cc1- InChIKey
ZHCWRMANOHEJDR-UHFFFAOYSA-N- Molecular formula
- C16H13ClO4
- Average molar mass
- 304.72 g/mol
- Monoisotopic mass
- 304.0502366
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
- IUPAC
- 1-(5-chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Names & synonyms
88952-39-0Oprea1_552702DTXSID705260401-(5-Chloro-2-hydroxyphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
Database identifiers
- CAS
88952-39-0- PubChem CID
- 13190839
- DTXSID
DTXSID70526040
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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