3-(Furan-2-yl)-1,5-diphenylpentane-1,5-dione
Basic information
- CAS
80921-39-7- Standard SMILES
O=C(CC(CC(=O)c1ccccc1)c1ccco1)c1ccccc1- InChIKey
CKJCAUHBVXEYNT-UHFFFAOYSA-N- Molecular formula
- C21H18O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.12559443
Names & identifiers
- Preferred name
- 3-(Furan-2-yl)-1,5-diphenylpentane-1,5-dione
- IUPAC
- 3-(furan-2-yl)-1,5-diphenylpentane-1,5-dione
Names & synonyms
3-(furan-2-yl)-1,5-diphenylpentane-1,5-dione80921-39-7MLS003106473NSC158364furfurylidenediacetophenoneCHEMBL2140909DTXSID601001641AKOS022192340NSC-158364SMR0018213763-(2-Furyl)-1,5-diphenylpentane-1,5-dione
Database identifiers
- CAS
80921-39-7- PubChem CID
- 292541
- DTXSID
DTXSID601001641- ChEMBL
CHEMBL2140909- Nikkaji
- J3.434.294F
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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