2-(4-Ethoxyphenyl)ethyl acetate
Basic information
- CAS
22532-53-2- Standard SMILES
CCOc1ccc(CCOC(C)=O)cc1- InChIKey
KIKKSFNBPWDLST-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- 2-(4-Ethoxyphenyl)ethyl acetate
- IUPAC
- 2-(4-ethoxyphenyl)ethyl acetate
Names & synonyms
22532-53-22-(4-ethoxyphenyl)ethyl acetateDTXSID40307383RefChem:252302DTXCID102585104-Ethoxyphenethyl acetateMFCD12964360NSC1909474-EthoxyphenethylacetateSCHEMBL28298039NSC-190947F394496
Database identifiers
- CAS
22532-53-2- PubChem CID
- 303073
- DTXSID
DTXSID40307383
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
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Related reactions
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Compound notes
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