7,8-Dihydro-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol
Basic information
- CAS
117211-96-8- Standard SMILES
COc1ccc(C2c3cc4c(cc3OC(C)(O)C2C)OCO4)c(OC)c1OC- InChIKey
RFJNGGPROOMCLU-UHFFFAOYSA-N- Molecular formula
- C21H24O7
- Average molar mass
- 388.4 g/mol
- Monoisotopic mass
- 388.1522031
Names & identifiers
- Preferred name
- 7,8-Dihydro-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol
- IUPAC
- 6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
Names & synonyms
117211-96-8NSC6108027,8-Dihydro-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-olDTXSID60922335NSC-6108026H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6,7-dimethyl-8-(2,3,4-trimethoxyphenyl)-6,7-Dimethyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-ol
Database identifiers
- CAS
117211-96-8- PubChem CID
- 147198
- DTXSID
DTXSID60922335
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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