3-chloro-4-methoxy-3-phenyl-5,6,7,8-tetrahydro-4H-chromen-2-one
Basic information
- CAS
87937-60-8- Standard SMILES
COC1C2=C(CCCC2)OC(=O)C1(Cl)c1ccccc1- InChIKey
KXEJNDCFYVZCDR-UHFFFAOYSA-N- Molecular formula
- C16H17ClO3
- Average molar mass
- 292.75 g/mol
- Monoisotopic mass
- 292.0866221
Names & identifiers
- Preferred name
- 3-chloro-4-methoxy-3-phenyl-5,6,7,8-tetrahydro-4H-chromen-2-one
- IUPAC
- 3-chloro-4-methoxy-3-phenyl-5,6,7,8-tetrahydro-4H-chromen-2-one
Names & synonyms
87937-60-8NSC3679983-chloro-4-methoxy-3-phenyl-5,6,7,8-tetrahydro-4H-chromen-2-oneDTXSID20321022NSC-367998DS-0040942H-1-BENZOPYRAN-2-ONE,3-CHLORO-3,4,5,6,7,8-HEXAHYDRO-4-METHOXY-3-PHENYL-3-Chloro-4-methoxy-3-phenyl-3,4,5,6,7,8-hexahydro-2H-1-benzopyran-2-one
Database identifiers
- CAS
87937-60-8- PubChem CID
- 339848
- DTXSID
DTXSID20321022
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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