2-(3-Methylphenoxy)-I(2)-oxobenzenepropanenitrile
Basic information
- CAS
136562-70-4- Standard SMILES
Cc1cccc(Oc2ccccc2C(=O)CC#N)c1- InChIKey
AWFSSQDNAKLAPX-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.09462866
Names & identifiers
- Preferred name
- 2-(3-Methylphenoxy)-I(2)-oxobenzenepropanenitrile
- IUPAC
- 3-[2-(3-methylphenoxy)phenyl]-3-oxopropanenitrile
Names & synonyms
DTXSID801246601136562-70-42-(3-Methylphenoxy)-I(2)-oxobenzenepropanenitrile3-[2-(3-Methylphenoxy)phenyl]-3-oxopropanenitrile
Database identifiers
- CAS
136562-70-4- PubChem CID
- 15036770
- DTXSID
DTXSID801246601
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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