4-(3-Phenoxypropoxy)benzonitrile
Basic information
- CAS
18859-06-8- Standard SMILES
N#Cc1ccc(OCCCOc2ccccc2)cc1- InChIKey
SCDIVQQIJXIFKD-UHFFFAOYSA-N- Molecular formula
- C16H15NO2
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.11027872
Names & identifiers
- Preferred name
- 4-(3-Phenoxypropoxy)benzonitrile
- IUPAC
- 4-(3-phenoxypropoxy)benzonitrile
Names & synonyms
18859-06-84-(3-phenoxypropoxy)benzonitrileNSC212472DTXSID60309647AKOS008873505NSC-212472
Database identifiers
- CAS
18859-06-8- PubChem CID
- 309995
- DTXSID
DTXSID60309647- Nikkaji
- J3.448.189J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 282
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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