2-(4-Phenethylphenyl)ethyl acetate
Basic information
- CAS
5345-17-5- Standard SMILES
CC(=O)OCCc1ccc(CCc2ccccc2)cc1- InChIKey
MATJGZJYDMPPMT-UHFFFAOYSA-N- Molecular formula
- C18H20O2
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.14632988
Names & identifiers
- Preferred name
- 2-(4-Phenethylphenyl)ethyl acetate
- IUPAC
- 2-[4-(2-phenylethyl)phenyl]ethyl acetate
Names & synonyms
2-(4-phenethylphenyl)ethyl acetate5345-17-52-[4-(2-phenylethyl)phenyl]ethyl acetateNSC3006DTXSID20277590NSC-3006
Database identifiers
- CAS
5345-17-5- PubChem CID
- 220372
- DTXSID
DTXSID20277590
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 273
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Compound notes
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