Basic information
- CAS
88952-38-9- Standard SMILES
COc1cccc(C(=O)CC(=O)c2cc(Cl)ccc2O)c1- InChIKey
JOYDJDQXJPCYHL-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-(3-methoxyphenyl)propane-1,3-dione
- IUPAC
- 1-(5-chloro-2-hydroxyphenyl)-3-(3-methoxyphenyl)propane-1,3-dione
Names & synonyms
88952-38-91-(5-Chloro-2-hydroxyphenyl)-3-(3-methoxyphenyl)propane-1,3-dioneDTXSID60526039
Database identifiers
- CAS
88952-38-9- PubChem CID
- 13190838
- DTXSID
DTXSID60526039
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…