Basic information
- CAS
803622-04-0- Standard SMILES
COc1ccc2c(-c3ccc(OCCCN4CCCC4)cc3)c(-c3ccccc3)oc2c1- InChIKey
DHVLJNRBHWCYLZ-UHFFFAOYSA-N- Molecular formula
- C28H29NO3
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.21474379
Names & identifiers
- Preferred name
- H63LU2B53Q
- IUPAC
- 1-[3-[4-(6-methoxy-2-phenyl-1-benzofuran-3-yl)phenoxy]propyl]pyrrolidine
Names & synonyms
H63LU2B53Q1-[3-[4-(6-Methoxy-2-phenyl-3-benzofuranyl)phenoxy]propyl]pyrrolidinePyrrolidine, 1-[3-[4-(6-methoxy-2-phenyl-3-benzofuranyl)phenoxy]propyl]-Pyrrolidine, 1-[3-[p-(6-methoxy-2-phenyl-3-benzofuranyl)phenoxy]propyl]-803622-04-0
Database identifiers
- CAS
803622-04-0- PubChem CID
- 212964
- UNII
- H63LU2B53Q
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 34.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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