Basic information
- CAS
58161-70-9- Standard SMILES
COc1cc(C=C2C(=O)C=CC2=O)ccc1OCc1ccccc1- InChIKey
YYPWEQGBYXJBJL-UHFFFAOYSA-N- Molecular formula
- C20H16O4
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.10485899
Names & identifiers
- Preferred name
- 2-{[4-(Benzyloxy)-3-methoxyphenyl]methylidene}cyclopent-4-ene-1,3-dione
- IUPAC
- 2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
Names & synonyms
58161-70-9NSC268352CHEMBL3275866DTXSID403132672-{[4-(Benzyloxy)-3-methoxyphenyl]methylidene}cyclopent-4-ene-1,3-dioneNSC-268352
Database identifiers
- CAS
58161-70-9- PubChem CID
- 320486
- DTXSID
DTXSID40313267- ChEMBL
CHEMBL3275866
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…