Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, butyl ester, (+-)-
Basic information
- CAS
71548-94-2- Standard SMILES
CCCCOC(=O)C(C)(CC)Oc1ccc(Cc2ccc(Cl)cc2)cc1- InChIKey
HHMPRXFCUIAVFM-UHFFFAOYSA-N- Molecular formula
- C22H27ClO3
- Average molar mass
- 374.9 g/mol
- Monoisotopic mass
- 374.1648724
Names & identifiers
- Preferred name
- Butanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, butyl ester, (+-)-
- IUPAC
- butyl 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylbutanoate
Names & synonyms
Sgd 89-75BRN 300610571548-94-2(+-)-2-(4-((4-Chlorophenyl)methyl)phenoxy)-2-methylbutanoic acid butyl esterButanoic acid, 2-(4-((4-chlorophenyl)methyl)phenoxy)-2-methyl-, butyl ester, (+-)-RefChem:330706DTXSID60992073Butyl 2-{4-[(4-chlorophenyl)methyl]phenoxy}-2-methylbutanoate
Database identifiers
- CAS
71548-94-2- PubChem CID
- 51346
- DTXSID
DTXSID60992073
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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