Basic information
- CAS
5436-64-6- Standard SMILES
CCC(C)c1ccc(OCC(C)OC(=O)Cc2ccccc2)cc1- InChIKey
CTQBRBWGLVRKAV-UHFFFAOYSA-N- Molecular formula
- C21H26O3
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.18819469
Names & identifiers
- Preferred name
- 1-(4-Butan-2-ylphenoxy)propan-2-yl 2-phenylacetate
- IUPAC
- 1-(4-butan-2-ylphenoxy)propan-2-yl 2-phenylacetate
Names & synonyms
1-(4-butan-2-ylphenoxy)propan-2-yl 2-phenylacetate5436-64-61-[4-(butan-2-yl)phenoxy]propan-2-yl phenylacetateNSC21751DTXSID40281457Benzeneacetic acid,1-methyl-2-[4-(1-methylpropyl)phenoxy]ethyl esterNSC-21751DS-006821
Database identifiers
- CAS
5436-64-6- PubChem CID
- 228656
- DTXSID
DTXSID40281457
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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