Basic information
- CAS
84542-59-6- Standard SMILES
COc1cc(OC)c2c(O)c3c(cc2c1)C(=O)C(C)=C(C)C3=O- InChIKey
HBJBBWDKPXUWTC-UHFFFAOYSA-N- Molecular formula
- C18H16O5
- Average molar mass
- 312.3 g/mol
- Monoisotopic mass
- 312.09977361
Names & identifiers
- Preferred name
- 10-Hydroxy-5,7-dimethoxy-2,3-dimethyl-1,4-anthracenedione
- IUPAC
- 10-hydroxy-5,7-dimethoxy-2,3-dimethylanthracene-1,4-dione
Names & synonyms
10-Hydroxy-5,7-dimethoxy-2,3-dimethyl-1,4-anthracenedione84542-59-610-hydroxy-5,7-dimethoxy-2,3-dimethylanthracene-1,4-dioneSCHEMBL16227157HBJBBWDKPXUWTC-UHFFFAOYSA-NDTXSID30137617210-HIDROXY-5,7 DIMETHOXY-2,3DIMETHYL1,4ANTHRAC ENEDIONE
Database identifiers
- CAS
84542-59-6- PubChem CID
- 628435
- DTXSID
DTXSID301376172- Nikkaji
- J616.288F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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