5-Hydroxy-6,7-dimethoxy-2,8-dimethylchromen-4-one
Basic information
- CAS
84782-35-4- Standard SMILES
COc1c(OC)c(O)c2c(=O)cc(C)oc2c1C- InChIKey
LTVYEBXCAHVDNQ-UHFFFAOYSA-N- Molecular formula
- C13H14O5
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.08412354
Overview
5-hydroxy-6,7-dimethoxy-2,8-dimethylchromen-4-one has been reported in Couepia paraensis with data available.
Names & identifiers
- Preferred name
- 5-Hydroxy-6,7-dimethoxy-2,8-dimethylchromen-4-one
- IUPAC
- 5-hydroxy-6,7-dimethoxy-2,8-dimethylchromen-4-one
Names & synonyms
5-hydroxy-6,7-dimethoxy-2,8-dimethylchromen-4-one84782-35-4DTXSID90319774RefChem:102810DTXCID502708975-hydroxy-2,8-dimethyl-6,7-dimethoxy chromoneNSC350180CHEMBL454840DIMETHOXYCHROMONE DERIV (I)NSC-3501805-hydroxy-2,8-dimethyl-6,7-dimethoxychromone5-Hydroxy-6,7-dimethoxy-2,8-dimethyl-4H-1-benzopyran-4-one
Database identifiers
- CAS
84782-35-4- PubChem CID
- 336375
- DTXSID
DTXSID90319774- ChEMBL
CHEMBL454840- Nikkaji
- J605.426I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
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Related reactions
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Compound notes
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