Basic information
- CAS
65535-49-1- Standard SMILES
CC(=O)c1c(OCc2ccccc2)ccc2ccc(=O)oc12- InChIKey
QMLSJCDSHGYBMT-UHFFFAOYSA-N- Molecular formula
- C18H14O4
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.08920892
Names & identifiers
- Preferred name
- 8-acetyl-7-(benzyloxy)-2H-chromen-2-one
- IUPAC
- 8-acetyl-7-phenylmethoxychromen-2-one
Names & synonyms
4SJE4EN2VV65535-49-1UNII-4SJE4EN2VV8-Ethanoyl-7-phenylmethoxy-chromen-2-oneCHEMBL12901118-acetyl-7-(benzyloxy)-2H-chromen-2-oneSCHEMBL7518570DTXSID60555920BDBM50332028PD1832468-Acetyl-7-(benzyloxy)-2H-1-benzopyran-2-one
Database identifiers
- CAS
65535-49-1- PubChem CID
- 14101447
- DTXSID
DTXSID60555920- ChEMBL
CHEMBL1290111- UNII
- 4SJE4EN2VV
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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