[4-(6-acetyloxy-3-ethyl-1H-inden-2-yl)phenyl] acetate
Basic information
- CAS
7478-30-0- Standard SMILES
CCC1=C(c2ccc(OC(C)=O)cc2)Cc2cc(OC(C)=O)ccc21- InChIKey
WNDUXEKTKKSMOQ-UHFFFAOYSA-N- Molecular formula
- C21H20O4
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.13615911
Names & identifiers
- Preferred name
- [4-(6-acetyloxy-3-ethyl-1H-inden-2-yl)phenyl] acetate
- IUPAC
- [4-(6-acetyloxy-3-ethyl-1H-inden-2-yl)phenyl] acetate
Names & synonyms
7478-30-0[4-(6-acetyloxy-3-ethyl-1H-inden-2-yl)phenyl] acetateNSC402899DTXSID00323044NSC-4028994-[6-(Acetyloxy)-3-ethyl-1H-inden-2-yl]phenyl acetate
Database identifiers
- CAS
7478-30-0- PubChem CID
- 345324
- DTXSID
DTXSID00323044
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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