Basic information
- CAS
913382-63-5- Standard SMILES
Cc1cc(C)cc(N2C(=O)Cc3ccccc32)c1- InChIKey
RQNCIRQIINNWRN-UHFFFAOYSA-N- Molecular formula
- C16H15NO
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.1153641
Names & identifiers
- Preferred name
- 1-(3,5-dimethylphenyl)-3H-indol-2-one
- IUPAC
- 1-(3,5-dimethylphenyl)-3H-indol-2-one
- English name
- 1-(3,5-dimethylphenyl)indolin-2-one
- Molecular formula
- C16H15NO
- Molecular weight
- 237.3
Names & synonyms
1-(3,5-dimethylphenyl)indolin-2-one2H-Indol-2-one, 1-(3,5-dimethylphenyl)-1,3-dihydro-
Database identifiers
- CAS
913382-63-5- PubChem CID
- 82044309
- Nikkaji
- J2.362.645D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 92 · 92-94 °C
- Boiling point
- 495.1 · 495.1±45.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- -3.1 · -3.10±0.20(Predicted)
Chemistry & industry
Suppliers1 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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