4-Butoxy-3-methoxybenzonitrile
Basic information
- CAS
81259-57-6- Standard SMILES
CCCCOc1ccc(C#N)cc1OC- InChIKey
GTVWJLHIMNZHPD-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
- Monoisotopic mass
- 205.11027872
Names & identifiers
- Preferred name
- 4-Butoxy-3-methoxybenzonitrile
- IUPAC
- 4-butoxy-3-methoxybenzonitrile
- English name
- 4-butoxy-3-methoxybenzonitrile
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.253
Names & synonyms
4-butoxy-3-methoxybenzonitrile81259-57-64-n-Butoxy-3-methoxybenzonitrileMFCD022561164-butoxy-3-methoxybenzenecarbonitrile4-butoxy-3-methoxy-benzonitrile3-methoxy-4-butoxybenzonitrileSCHEMBL21636653-methoxy-4-n-butoxybenzonitrileGTVWJLHIMNZHPD-UHFFFAOYSA-NSTK398105AKOS000170307
Show more names
NCGC00332732-01CS-0366585ST45167235AB01326821-02AK-968/40709318F396499
Database identifiers
- CAS
81259-57-6- PubChem CID
- 4458757
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Related reactions
4 records
Compound notes
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