Basic information
- Standard SMILES
COc1ccc(C2CCc3ccccc3C2C#N)cc1- InChIKey
AKGWQHFPWUBSRP-UHFFFAOYSA-N- Molecular formula
- C18H17NO
- Average molar mass
- 263.3 g/mol
- Monoisotopic mass
- 263.13101417
Names & identifiers
- Preferred name
- (1RS,2SR)-1-cyano-1,2,3,4-tetrahydro-2-p-methoxyphenylnaphthalene
- IUPAC
- 2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile
Names & synonyms
SCHEMBL9862580AKGWQHFPWUBSRP-UHFFFAOYSA-N(1RS,2SR)-1-cyano-1,2,3,4-tetrahydro-2-p-methoxyphenylnaphthalene
Database identifiers
- PubChem CID
- 67945262
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Related reactions
3 records
Compound notes
Loading…