Basic information
- CAS
117212-00-7- Standard SMILES
COc1ccc(C2CC(C)(N3CCCC3)Oc3cc4c(cc32)OCO4)c(OC)c1- InChIKey
CBYNWEMJTGYPFZ-UHFFFAOYSA-N- Molecular formula
- C23H27NO5
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.18892296
Names & identifiers
- Preferred name
- 1-(8-(2,4-Dimethoxyphenyl)-7,8-dihydro-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine
- IUPAC
- 1-[8-(2,4-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
Names & synonyms
117212-00-7NSC6108051-(8-(2,4-Dimethoxyphenyl)-7,8-dihydro-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidineDTXSID00922339NSC-610805Pyrrolidine, 1-(8-(2,4-dimethoxyphenyl)-7,8-dihydro-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-1-[8-(2,4-Dimethoxyphenyl)-6-methyl-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]pyrrolidine
Database identifiers
- CAS
117212-00-7- PubChem CID
- 147202
- DTXSID
DTXSID00922339
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 569
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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