1-(5-Chloro-2-hydroxyphenyl)-3-(quinolin-2-yl)propane-1,3-dione
Basic information
- CAS
7209-66-7- Standard SMILES
O=C(CC(=O)c1cc(Cl)ccc1O)c1ccc2ccccc2n1- InChIKey
IOZPNNMVNAFAFU-UHFFFAOYSA-N- Molecular formula
- C18H12ClNO3
- Average molar mass
- 325.7 g/mol
- Monoisotopic mass
- 325.0505709
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-hydroxyphenyl)-3-(quinolin-2-yl)propane-1,3-dione
- IUPAC
- 1-(5-chloro-2-hydroxyphenyl)-3-quinolin-2-ylpropane-1,3-dione
Names & synonyms
7209-66-71-(5-chloro-2-hydroxyphenyl)-3-(quinolin-2-yl)propane-1,3-dioneNSC61622DTXSID60289495NSC-61622
Database identifiers
- CAS
7209-66-7- PubChem CID
- 247236
- DTXSID
DTXSID60289495
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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