Basic information
- CAS
81778-62-3- Standard SMILES
CC1(C)C(=O)N(Cc2ccccc2Cl)OC1Oc1ccccc1- InChIKey
DENWPYVXRADMNG-UHFFFAOYSA-N- Molecular formula
- C18H18ClNO3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.0975211
Names & identifiers
- Preferred name
- 2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-5-phenoxy-1,2-oxazolidin-3-one
- IUPAC
- 2-[(2-chlorophenyl)methyl]-4,4-dimethyl-5-phenoxy-1,2-oxazolidin-3-one
Names & synonyms
81778-62-32-(2-chlorobenzyl)-4,4-dimethyl-5-phenoxyisoxazolidin-3-one2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-5-phenoxy-1,2-oxazolidin-3-oneSCHEMBL11198432DTXSID10526145
Database identifiers
- CAS
81778-62-3- PubChem CID
- 13192596
- DTXSID
DTXSID10526145
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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