5-Hydroxy-3-methoxy-1,4-phenanthrenedione
Basic information
- CAS
130837-95-5- Standard SMILES
COC1=CC(=O)c2ccc3cccc(O)c3c2C1=O- InChIKey
DDEQWQREGNUPCT-UHFFFAOYSA-N- Molecular formula
- C15H10O4
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.0579088
Overview
5-Hydroxy-3-methoxyphenanthrene-1,4-dione has been reported in Cymbidium aloifolium with data available.
Names & identifiers
- Preferred name
- 5-Hydroxy-3-methoxy-1,4-phenanthrenedione
- IUPAC
- 5-hydroxy-3-methoxyphenanthrene-1,4-dione
Names & synonyms
Cymbinodin A130837-95-5RefChem:9134185-Hydroxy-3-methoxy-1,4-phenanthrenedione5-hydroxy-3-methoxyphenanthrene-1,4-dioneDTXSID00926938
Database identifiers
- CAS
130837-95-5- PubChem CID
- 3086629
- DTXSID
DTXSID00926938
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 439
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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