4-(3-Methoxyphenyl)oxane-4-carbonitrile

HCID 18786366

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

Related reactions

9 records

Linked notes

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