Basic information
- Standard SMILES
CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(CC#N)c1- InChIKey
PPTIXGLIEJSFPT-UHFFFAOYSA-N- Molecular formula
- C20H24N2O3
- Average molar mass
- 340.4 g/mol
Names & identifiers
- Preferred name
- 2-Hydroxy-5-[1-hydroxy-2-[(1,1-dimethyl-2-p-hydroxyphenylethyl)amino]-ethyl]benzeneacetonitrile
- IUPAC
- 2-[2-hydroxy-5-[1-hydroxy-2-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile
Names & synonyms
SCHEMBL11547951PPTIXGLIEJSFPT-UHFFFAOYSA-N2-hydroxy-5-[1-hydroxy-2-[(1,1-dimethyl-2-p-hydroxyphenylethyl)amino]-ethyl]benzeneacetonitrile2-hydroxy-5-[1-hydroxy-2-[(1,1-dimethyl-2-p-hydroxyphenylethyl)amino]ethyl]benzeneacetonitrile
Database identifiers
- PubChem CID
- 21325152
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 451
Related reactions
3 records
Compound notes
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