Basic information
- CAS
53157-46-3- Standard SMILES
O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccc(O)cc12- InChIKey
QXPSOWPOHSZKEK-UHFFFAOYSA-N- Molecular formula
- C18H14N2O3
- Average molar mass
- 306.3 g/mol
- Monoisotopic mass
- 306.10044231
Names & identifiers
- Preferred name
- 2-(2-(5-hydroxy-1H-indol-3-yl)ethyl)isoindole-1,3-dione
- IUPAC
- 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]isoindole-1,3-dione
- English name
- 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione
- Molecular formula
- C18H14N2O3
- Molecular weight
- 306.32
Names & synonyms
53157-46-32-[2-(5-hydroxy-1H-indol-3-yl)ethyl]isoindole-1,3-dioneDTXSID603550482-(2-(5-hydroxy-1H-indol-3-yl)ethyl)isoindole-1,3-dioneRefChem:250350DTXCID303061082-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-isoindole-1,3(2H)-dione1H-Isoindole-1,3(2H)-dione, 2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)isoindoline-1,3-dioneChemDiv2_003209Cambridge id 5106791Oprea1_158047
Show more names
Oprea1_523437CBDivE_000438MLS000703291SCHEMBL2531516CHEMBL1606430QXPSOWPOHSZKEK-UHFFFAOYSA-NHMS1378B19HMS2640H03
Database identifiers
- CAS
53157-46-3- PubChem CID
- 790197
- DTXSID
DTXSID60355048- ChEMBL
CHEMBL1606430
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 73.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
Chemistry & industry
Suppliers2 total
Interbioscreen Ltd.[email protected]
SPECS[email protected]
Related reactions
4 records
Compound notes
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