Basic information
- CAS
128508-16-7- Standard SMILES
COc1cc2c(c(OC)c1C)C(=O)C[C@@H](c1ccccc1)O2- InChIKey
XYMPWWTYELQXGU-HNNXBMFYSA-N- Molecular formula
- C18H18O4
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12050905
Names & identifiers
- Preferred name
- (2S)-2,3-Dihydro-5,7-dimethoxy-6-methyl-2-phenyl-4H-1-benzopyran-4-one
- IUPAC
- (2S)-5,7-dimethoxy-6-methyl-2-phenyl-2,3-dihydrochromen-4-one
Names & synonyms
128508-16-7(2S)-2,3-Dihydro-5,7-dimethoxy-6-methyl-2-phenyl-4H-1-benzopyran-4-oneRefChem:206873DTXSID701154811(2S)-5,7-Dimethoxy-6-methyl-2-phenyl-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
128508-16-7- PubChem CID
- 25755593
- DTXSID
DTXSID701154811- Nikkaji
- J3.344.110J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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