Basic information
- Standard SMILES
CCCCCCCCOc1cc(O)c2c(=O)c3ccccc3oc2c1- InChIKey
UVJFQFFYDZUEMH-UHFFFAOYSA-N- Molecular formula
- C21H24O4
- Average molar mass
- 340.4 g/mol
Names & identifiers
- Preferred name
- 1-Hydroxy-3-octoxyxanthone
- IUPAC
- 1-hydroxy-3-octoxyxanthen-9-one
Names & synonyms
1-hydroxy-3-octoxyxanthoneCHEMBL468232SCHEMBL9314341UVJFQFFYDZUEMH-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 19087143
- ChEMBL
CHEMBL468232
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 424
Related reactions
2 records
Linked notes
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