Basic information
- Standard SMILES
O=c1c2ccccc2oc2cc(OCc3ccccc3)cc(O)c12- InChIKey
QBSUFELWFJWENM-UHFFFAOYSA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920892
Names & identifiers
- Preferred name
- 1-Hydroxy-3-phenylmethoxyxanthen-9-one
- IUPAC
- 1-hydroxy-3-phenylmethoxyxanthen-9-one
Names & synonyms
1-hydroxy-3-phenylmethoxyxanthen-9-one3-(benzyloxy)-1-hydroxy-9H-xanthen-9-one831228-90-11-hydroxy-3-benzyloxyxanthoneCHEMBL468401SCHEMBL11029659QBSUFELWFJWENM-UHFFFAOYSA-NEiM07-20647STK829514AKOS0049377993-benzyloxy-1-hydroxy-9H-xanthen-9-one
Database identifiers
- PubChem CID
- 5741295
- ChEMBL
CHEMBL468401
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
Loading…