Basic information
- Standard SMILES
Cc1ccc(C2c3c(C)c(N4Cc5ccccc5C4)c(C)c(C)c3OC2(C)C)cc1- InChIKey
GHNGBJQPDDWCJJ-UHFFFAOYSA-N- Molecular formula
- C28H31NO
- Average molar mass
- 397.6 g/mol
- Monoisotopic mass
- 397.24056461
Names & identifiers
- Preferred name
- 2-[2,2,4,6,7-Pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-yl]isoindoline
- IUPAC
- 2-[2,2,4,6,7-pentamethyl-3-(4-methylphenyl)-3H-1-benzofuran-5-yl]-1,3-dihydroisoindole
Names & synonyms
SCHEMBL2774100GHNGBJQPDDWCJJ-UHFFFAOYSA-N2-[2,2,4,6,7-Pentamethyl-3-(4-methylphenyl)-2,3-dihydro-1-benzofuran-5-yl]isoindoline
Database identifiers
- PubChem CID
- 9843769
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 594
Related reactions
3 records
Compound notes
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