5-[(4-Ethoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole
Basic information
- CAS
71712-36-2- Standard SMILES
CCOc1ccc(Cc2ccc3c(c2)OCO3)cc1C- InChIKey
MNLYGSGCHPUEQA-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 5-[(4-Ethoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxole
- IUPAC
- 5-[(4-ethoxy-3-methylphenyl)methyl]-1,3-benzodioxole
Names & synonyms
71712-36-2NSC350126SCHEMBL110885145-[(4-Ethoxy-3-methylphenyl)methyl]-2H-1,3-benzodioxoleDTXSID40319764NSC-350126
Database identifiers
- CAS
71712-36-2- PubChem CID
- 336360
- DTXSID
DTXSID40319764
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 307
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…