(3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate
Basic information
- CAS
112473-64-0- Standard SMILES
CC(C(=O)OCc1cccc(Oc2ccccc2)c1)C(C)(C)C- InChIKey
CFMGZRZJMMHXEX-UHFFFAOYSA-N- Molecular formula
- C20H24O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.17254462
Names & identifiers
- Preferred name
- (3-Phenoxyphenyl)methyl 2,3,3-trimethylbutanoate
- IUPAC
- (3-phenoxyphenyl)methyl 2,3,3-trimethylbutanoate
Names & synonyms
112473-64-0(3-phenoxyphenyl)methyl 2,3,3-trimethylbutanoateDTXSID10920765Butanoic acid, 2,3,3-trimethyl-, (3-phenoxyphenyl)methyl ester
Database identifiers
- CAS
112473-64-0- PubChem CID
- 183473
- DTXSID
DTXSID10920765
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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