Basic information
- Standard SMILES
CC1(C)Oc2ccc(I)cc2C(N2Cc3ccccc3C2=O)C1O- InChIKey
CKDSSZKQWJDUBG-UHFFFAOYSA-N- Molecular formula
- C19H18INO3
- Average molar mass
- 435.3 g/mol
Names & identifiers
- Preferred name
- 2-(3-hydroxy-6-iodo-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3H-isoindol-1-one
- IUPAC
- 2-(3-hydroxy-6-iodo-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3H-isoindol-1-one
Names & synonyms
SCHEMBL8792953
Database identifiers
- PubChem CID
- 18982188
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 511
Related reactions
2 records
Compound notes
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