Basic information
- CAS
887210-43-7- Standard SMILES
Cc1cc2oc(=O)cc(CN3CCOCC3)c2c(C)c1Cl- InChIKey
ZWYRYAAVQKFFMQ-UHFFFAOYSA-N- Molecular formula
- C16H18ClNO3
- Average molar mass
- 307.77 g/mol
- Monoisotopic mass
- 307.0975211
Names & identifiers
- Preferred name
- 6-Chloro-5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one
- IUPAC
- 6-chloro-5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one
Names & synonyms
6-chloro-5,7-dimethyl-4-(morpholin-4-ylmethyl)chromen-2-one887210-43-76-chloro-5,7-dimethyl-4-(morpholin-4-ylmethyl)-2H-chromen-2-one6-chloro-5,7-dimethyl-4-[(morpholin-4-yl)methyl]-2H-chromen-2-oneMLS001215869CHEMBL1314822DTXSID001322083HMS2866H08STK853458AKOS002057010NCGC00283596-01SMR000544774
Show more names
ST50471968AB00824899-06SR-01000017989SR-01000017989-1F1864-04576-chloro-5,7-dimethyl-4-(morpholinomethyl)-2H-chromen-2-one6-Chloro-5,7-dimethyl-4-[(morpholin-4-yl)methyl]-2H-1-benzopyran-2-one
Database identifiers
- CAS
887210-43-7- PubChem CID
- 7205076
- DTXSID
DTXSID001322083- ChEMBL
CHEMBL1314822
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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