3-(1-Methyl-1H-indol-3-yl)isobenzofuran-1(3H)-one
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Basic information
- CAS
6308-55-0- Standard SMILES
Cn1cc(C2OC(=O)c3ccccc32)c2ccccc21- InChIKey
JTAPDIWCIJLNAH-UHFFFAOYSA-N- Molecular formula
- C17H13NO2
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.09462866
Names & identifiers
- Preferred name
- 3-(1-Methyl-1H-indol-3-yl)isobenzofuran-1(3H)-one
- IUPAC
- 3-(1-methylindol-3-yl)-3H-2-benzofuran-1-one
- English name
- 3-(1-methylindol-3-yl)-3H-isobenzofuran-1-one
- Molecular formula
- C17H13NO2
- Molecular weight
- 263.29
Names & synonyms
6308-55-03-(1-Methyl-1H-indol-3-yl)isobenzofuran-1(3H)-oneMLS0026083633-(1-METHYLINDOL-3-YL)-3H-ISOBENZOFURAN-1-ONE3-(1-methyl-1H-indol-3-yl)-1,3-dihydro-2-benzofuran-1-one3-(1-methylindol-3-yl)-3H-2-benzofuran-1-oneNSC420883-(1-methyl-1h-indol-3-yl)-2-benzofuran-1(3h)-oneCHEMBL1896125SCHEMBL30839894DTXSID50285507HMS3080H23
Show more names
1(3H)-Isobenzofuranone, 3-(1-methyl-1H-indol-3-yl)-
NSC-42088AKOS030617910SMR001527112
Database identifiers
- CAS
6308-55-0- PubChem CID
- 237987
- DTXSID
DTXSID50285507- ChEMBL
CHEMBL1896125
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 31.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 126 · 126-128 °C(Solv: dichloromethane (75-09-2); ligroine (8032-32-4))
- Boiling point
- 475.9 · 475.9±45.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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