5-[(4-Ethoxy-3,5-dimethylphenyl)methyl]-2H-1,3-benzodioxole
Basic information
- CAS
71712-39-5- Standard SMILES
CCOc1c(C)cc(Cc2ccc3c(c2)OCO3)cc1C- InChIKey
IDHULBXVNDPLGO-UHFFFAOYSA-N- Molecular formula
- C18H20O3
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.1412445
Names & identifiers
- Preferred name
- 5-[(4-Ethoxy-3,5-dimethylphenyl)methyl]-2H-1,3-benzodioxole
- IUPAC
- 5-[(4-ethoxy-3,5-dimethylphenyl)methyl]-1,3-benzodioxole
Names & synonyms
71712-39-5NSC350128DTXSID603197665-[(4-Ethoxy-3,5-dimethylphenyl)methyl]-2H-1,3-benzodioxoleNSC-350128
Database identifiers
- CAS
71712-39-5- PubChem CID
- 336362
- DTXSID
DTXSID60319766
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
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Compound notes
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