Basic information
- CAS
301538-60-3- Standard SMILES
COc1ccc(C(=O)COc2ccccc2C#N)cc1- InChIKey
YTWLDSXEGKOPEF-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- 2-[2-(4-Methoxyphenyl)-2-oxoethoxy]benzonitrile
- IUPAC
- 2-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile
Names & synonyms
2-[2-(4-methoxyphenyl)-2-oxoethoxy]benzonitrile2-(2-(4-methoxyphenyl)-2-oxoethoxy)benzonitrile301538-60-3MLS000768951CHEMBL1546231DTXSID701325569HMS2795A21STL337049AKOS003826861SMR0004336442-[2-(4-Methoxy-phenyl)-2-oxo-ethoxy]-benzonitrile
Database identifiers
- CAS
301538-60-3- PubChem CID
- 950448
- DTXSID
DTXSID701325569- ChEMBL
CHEMBL1546231
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Experimental & physicochemical properties
Solubility3.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…