Basic information
- CAS
1496-76-0- Standard SMILES
O=C(c1ccccc1)n1ccc2ccccc21- InChIKey
DIQDUFVJZPNLJQ-UHFFFAOYSA-N- Molecular formula
- C15H11NO
- Average molar mass
- 221.25 g/mol
- Monoisotopic mass
- 221.08406397
Names & identifiers
- Preferred name
- 1H-Indol-1-ylphenylmethanone
- IUPAC
- indol-1-yl(phenyl)methanone
Names & synonyms
1496-76-01H-Indole, 1-benzoyl-DTXSID40164352RefChem:10581501H-Indol-1-ylphenylmethanoneDTXCID50868431-Benzoyl-1H-indole(1H-indol-1-yl)(phenyl)methanoneindol-1-yl(phenyl)methanoneN-benzoylindoleBenzoyl-3-indole [French]Benzoyl-3-indole (french)
Show more names
Benzoyl-3-indoleBRN 0156339starbld0032096Maybridge4_003414indol-1-yl-phenylmethanoneCambridge id 5107193CBDivE_0030945-20-07-00020 (Beilstein Handbook Reference)
Database identifiers
- CAS
1496-76-0- PubChem CID
- 200283
- DTXSID
DTXSID40164352- ChEMBL
CHEMBL1572010- Nikkaji
- J432.992I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Related reactions
1 records
Compound notes
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