Basic information
- CAS
90503-16-5- Standard SMILES
O=C1c2ccccc2C(=O)N1CC(O)COCc1ccccc1- InChIKey
BQPGTZDMUJNXJZ-UHFFFAOYSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Names & identifiers
- Preferred name
- 2-[3-(benzyloxy)-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(2-hydroxy-3-phenylmethoxypropyl)isoindole-1,3-dione
Names & synonyms
90503-16-52-[3-(benzyloxy)-2-hydroxypropyl]-1H-isoindole-1,3(2H)-dioneNSC 380678NSC380678Oprea1_577640MLS000087818SCHEMBL8935936CHEMBL1522997SCHEMBL29811681DTXSID10321733BQPGTZDMUJNXJZ-UHFFFAOYSA-NHMS2499A19
Show more names
MFCD00527234AKOS001629394NSC-380678SMR000024038DB-4080802-Benzyloxymethyl-2-hydroxy-1-phthalimido-ethane2-(3-(benzyloxy)-2-hydroxypropyl)isoindoline-1,3-dione
Database identifiers
- CAS
90503-16-5- PubChem CID
- 342796
- DTXSID
DTXSID10321733- ChEMBL
CHEMBL1522997
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Related reactions
4 records
Compound notes
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