Basic information
- Standard SMILES
COCCCc1ccc(C#N)cc1- InChIKey
ASLRFXLVWMAEDQ-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
Names & identifiers
- Preferred name
- 4-(3-Methoxypropyl)benzonitrile
- IUPAC
- 4-(3-methoxypropyl)benzonitrile
Names & synonyms
SCHEMBL47743494-(3-methoxypropyl)benzonitrileASLRFXLVWMAEDQ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22503379
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
3 records
Compound notes
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