2-phenyl-5,6,7,8-tetrahydro-4H-chromen-4-one
Basic information
- CAS
35413-50-4- Standard SMILES
O=c1cc(-c2ccccc2)oc2c1CCCC2- InChIKey
KOHFFSYBEOZJQE-UHFFFAOYSA-N- Molecular formula
- C15H14O2
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.09937969
Names & identifiers
- Preferred name
- 2-phenyl-5,6,7,8-tetrahydro-4H-chromen-4-one
- IUPAC
- 2-phenyl-5,6,7,8-tetrahydrochromen-4-one
Names & synonyms
MLS00317086535413-50-42-phenyl-5,6,7,8-tetrahydro-4H-chromen-4-oneNSC337265CHEMBL2131920SCHEMBL10824405DTXSID00318839STK987626AKOS002211655NSC-337265SMR0018747812-phenyl-5H-6,7,8-trihydrochromen-4-one
Show more names
ST501334972-Phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
35413-50-4- PubChem CID
- 333704
- DTXSID
DTXSID00318839- ChEMBL
CHEMBL2131920
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 384
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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