Basic information
- Standard SMILES
COc1ccc2c(c1)C(CCCC#N)=CCC2- InChIKey
UMNLIBWCDVAXCH-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Names & identifiers
- Preferred name
- 4-(3-Cyanopropyl)-6-methoxy-1,2-dihydronaphthalene
- IUPAC
- 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)butanenitrile
Names & synonyms
SCHEMBL7780002UMNLIBWCDVAXCH-UHFFFAOYSA-N4-(3-Cyanopropyl)-6-methoxy-1,2-dihydronaphthalene4-(7-Methoxy-3,4-dihydronaphthalen-1-yl)butyronitrile
Database identifiers
- PubChem CID
- 21996462
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 325
Related reactions
4 records
Compound notes
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