2-(3,5-Dimethyl-4-hydroxyphenyl)-2-(3,5-dimethyl-4-cyanatophenyl)-propane
Basic information
- Standard SMILES
Cc1cc(C(C)(C)c2cc(C)c(OC#N)c(C)c2)cc(C)c1O- InChIKey
OAFPUASJKPSUJF-UHFFFAOYSA-N- Molecular formula
- C20H23NO2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.17287898
Names & identifiers
- Preferred name
- 2-(3,5-Dimethyl-4-hydroxyphenyl)-2-(3,5-dimethyl-4-cyanatophenyl)-propane
- IUPAC
- [4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenyl] cyanate
Names & synonyms
SCHEMBL11705986OAFPUASJKPSUJF-UHFFFAOYSA-N2-(3,5-dimethyl-4-hydroxyphenyl)-2-(3,5-dimethyl-4-cyanatophenyl)-propane
Database identifiers
- PubChem CID
- 21395870
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 428
Related reactions
2 records
Compound notes
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