Basic information
- CAS
1808-02-2- Standard SMILES
COc1ccc(C2(OC)Oc3cc(OC)ccc3C(=O)C2(O)OC)cc1- InChIKey
BBLDREXMAWMDML-UHFFFAOYSA-N- Molecular formula
- C19H20O7
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.12090297
Names & identifiers
- Preferred name
- 3-Hydroxy-2,3,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one
- IUPAC
- 3-hydroxy-2,3,7-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
Names & synonyms
1808-02-23-Hydroxy-2,3,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-oneNSC102036NSC 102036MLS002703695CHEMBL483635DTXSID60939382NSC-102036SMR001570412DS-0142413-hydroxy-2,3,7-trimethoxy-2-(4-methoxyphenyl)chroman-4-one3-Hydroxy-2,3,7-trimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
Database identifiers
- CAS
1808-02-2- PubChem CID
- 265705
- DTXSID
DTXSID60939382- ChEMBL
CHEMBL483635- Nikkaji
- J472.374K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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