3-Ethyl-4-phenyl-1H-2-benzopyran-1-one
Basic information
- CAS
76836-55-0- Standard SMILES
CCc1oc(=O)c2ccccc2c1-c1ccccc1- InChIKey
GWGZREQBTUIKLH-UHFFFAOYSA-N- Molecular formula
- C17H14O2
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.09937969
Names & identifiers
- Preferred name
- 3-Ethyl-4-phenyl-1H-2-benzopyran-1-one
- IUPAC
- 3-ethyl-4-phenylisochromen-1-one
Names & synonyms
76836-55-0NSC2303123-Ethyl-4-phenyl-1H-2-benzopyran-1-oneDTXSID90310685NSC-230312
Database identifiers
- CAS
76836-55-0- PubChem CID
- 314004
- DTXSID
DTXSID90310685
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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