84Pnf76rah
Basic information
- CAS
849830-76-8- Standard SMILES
CCCN1C(=O)c2ccccc2C1(Oc1cc(OC)c(O)c(OC)c1)c1ccc(Cl)cc1- InChIKey
XFOWKHLJKJBYOJ-UHFFFAOYSA-N- Molecular formula
- C25H24ClNO5
- Average molar mass
- 453.9 g/mol
- Monoisotopic mass
- 453.1343006
Names & identifiers
- Preferred name
- 84Pnf76rah
- IUPAC
- 3-(4-chlorophenyl)-3-(4-hydroxy-3,5-dimethoxyphenoxy)-2-propylisoindol-1-one
Names & synonyms
84PNF76RAHUNII-84PNF76RAH3-(4-Chlorophenyl)-2,3-dihydro-3-(4-hydroxy-3,5-dimethoxyphenoxy)-2-propyl-1H-isoindol-1-one1H-Isoindol-1-one, 3-(4-chlorophenyl)-2,3-dihydro-3-(4-hydroxy-3,5-dimethoxyphenoxy)-2-propyl-849830-76-8
Database identifiers
- CAS
849830-76-8- PubChem CID
- 157010682
- UNII
- 84PNF76RAH
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 628
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…