4-[3-(Acetyloxy)butyl]phenyl acetate
Basic information
- CAS
6973-65-5- Standard SMILES
CC(=O)Oc1ccc(CCC(C)OC(C)=O)cc1- InChIKey
IDWHTWMEVYBAMH-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- 4-[3-(Acetyloxy)butyl]phenyl acetate
- IUPAC
- [4-(3-acetyloxybutyl)phenyl] acetate
Names & synonyms
4-[3-(acetyloxy)butyl]phenyl acetate6973-65-5[4-(3-acetyloxybutyl)phenyl] acetateBenzenepropanol, 4-(acetyloxy)-a-methyl-, 1-acetateNSC42596MLS000107707CHEMBL1420264SCHEMBL18937134DTXSID10285669HMS2506H19NSC-42596NCGC00078191-02
Show more names
SMR000103672
Database identifiers
- CAS
6973-65-5- PubChem CID
- 238285
- DTXSID
DTXSID10285669- ChEMBL
CHEMBL1420264
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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