Basic information
- CAS
117211-97-9- Standard SMILES
COc1cc(OC)c(C2CC(C)(N3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1- InChIKey
OOROCWPUUPSFBN-UHFFFAOYSA-N- Molecular formula
- C24H29NO6
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.19948764
Names & identifiers
- Preferred name
- 1-(7,8-Dihydro-6-methyl-8-(2,4,6-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine
- IUPAC
- 1-[6-methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
Names & synonyms
117211-97-9NSC6107961-(7,8-Dihydro-6-methyl-8-(2,4,6-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidineDTXSID20922336NSC-610796Pyrrolidine, 1-(7,8-dihydro-6-methyl-8-(2,4,6-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-1-[6-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]pyrrolidine
Database identifiers
- CAS
117211-97-9- PubChem CID
- 147199
- DTXSID
DTXSID20922336
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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