Basic information
- Standard SMILES
COc1cccc(C2(C#N)CCOCC2)c1- InChIKey
SYOBOTSCMVRZPR-UHFFFAOYSA-N- Molecular formula
- C13H15NO2
- Average molar mass
- 217.26 g/mol
- Monoisotopic mass
- 217.11027872
Names & identifiers
- Preferred name
- 4-(3-Methoxyphenyl)oxane-4-carbonitrile
- IUPAC
- 4-(3-methoxyphenyl)oxane-4-carbonitrile
Names & synonyms
179420-73-64-(3-Methoxyphenyl)oxane-4-carbonitrile4-(3-Methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile4-(3-Methoxyphenyl)tetrahydropyran-4-carbonitrile4-cyano-4-(3-methoxyphenyl)-3,4,5,6-tetrahydro-2H-pyranMFCD14607921SCHEMBL1625323SYOBOTSCMVRZPR-UHFFFAOYSA-NAKOS010514399KS-7552DB-316478F214462
Show more names
4-(3-methoxyphenyl)-tetrahydro-pyran-4-carbonitrile4-(3-methoxyphenyl)tetrahydro-pyran-4-carbonitrile4-(3-Methoxyphenyl)-tetrahydro-2H-pyran-4-carbonitrile
Database identifiers
- PubChem CID
- 18786366
- Nikkaji
- J2.201.721G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Related reactions
9 records
Linked notes
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