Basic information
- CAS
111227-17-9- Standard SMILES
COc1ccc(OCC(OC(=O)n2ccnc2)C(C)(C)C)cc1- InChIKey
WIUITYRCWNPGSY-UHFFFAOYSA-N- Molecular formula
- C17H22N2O4
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.15795719
Names & identifiers
- Preferred name
- 1H-Imidazole-1-carboxylic acid, 1-((4-methoxyphenoxy)methyl)-2,2-dimethylpropyl ester
- IUPAC
- [1-(4-methoxyphenoxy)-3,3-dimethylbutan-2-yl] imidazole-1-carboxylate
Names & synonyms
111227-17-9OK 8705OK-8705SCHEMBL229363DTXSID508749501-(4-methoxyphenoxy)-3,3-dimethylbutan-2-yl 1H-imidazole-1-carboxylate1H-Imidazole-1-carboxylic acid, 1-((4-methoxyphenoxy)methyl)-2,2-dimethylpropyl ester1H-IMIDAZOLE-1-CARBOXYLIC ACID, 1-[(4-METHOXYPHE
Database identifiers
- CAS
111227-17-9- PubChem CID
- 86116
- DTXSID
DTXSID50874950- Nikkaji
- J470.481I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 375
Experimental & physicochemical properties
LogP3.46
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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