Basic information
- CAS
1022-86-2- Standard SMILES
O=C(c1ccccc1)c1cc2ccccc2[nH]1- InChIKey
RLGAYEJPGHIHIB-UHFFFAOYSA-N- Molecular formula
- C15H11NO
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.08406397
Names & identifiers
- Preferred name
- Benzoyl indole
- IUPAC
- 1H-indol-2-yl(phenyl)methanone
- English name
- 2-Benzoyl-1H-indole
- Molecular formula
- C15H11NO
- Molecular weight
- 221.25
Names & synonyms
benzoyl indole1022-86-2DTXSID60346592RefChem:1079389DTXCID902976641H-Indol-2-yl(phenyl)methanone2-Benzoyl-1H-indole2-Benzoylindole(1H-Indol-2-yl)(phenyl)methanonebenzoylindoleIndole, 2-benzoyl-indol-2-yl phenyl ketone
Show more names
1H-Indol-2-ylphenyl ketoneMethanone, 1H-indol-2-ylphenyl-
Oprea1_707783Oprea1_7457321H-indol-2-yl-phenylmethanoneSCHEMBL2729915SCHEMBL419237661H-Indol-2-yl(phenyl)methanone #CCG-23803STK237038
Database identifiers
- CAS
1022-86-2- PubChem CID
- 613483
- DTXSID
DTXSID60346592- Nikkaji
- J45.397H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 144 · 144-145 °C
- Boiling point
- 422.1 · 422.1±18.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- pka
- 15.1 · 15.10±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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