Basic information
- CAS
90632-69-2- Standard SMILES
CCOc1ccc(C(C)c2cc3c(cc2OCC)OCO3)cc1- InChIKey
SBVZBWOMJAGKPQ-UHFFFAOYSA-N- Molecular formula
- C19H22O4
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.15180918
Names & identifiers
- Preferred name
- 1,3-Benzodioxole, 5-ethoxy-6-(1-(4-ethoxyphenyl)ethyl)-
- IUPAC
- 5-ethoxy-6-[1-(4-ethoxyphenyl)ethyl]-1,3-benzodioxole
Names & synonyms
90632-69-2NSC-3526881,3-Benzodioxole, 5-ethoxy-6-(1-(4-ethoxyphenyl)ethyl)-1,3-Benzodioxole, 5-ethoxy-6-[1-(4-ethoxyphenyl)ethyl]-5-ethoxy-6-[1-(4-ethoxyphenyl)ethyl]-1,3-benzodioxoleNSC352688NSC 352688J 3223CHEMBL511799W56E4E4S81, 5-ethoxy-6-[1-(4-ethoxyphenyl)ethyl]-5-ethoxy-6-( 1-[4-ethoxyphenyl]ethyl)-1 ,3-benzodioxole
Database identifiers
- CAS
90632-69-2- PubChem CID
- 185032
- ChEMBL
CHEMBL51179- UNII
- 9W56E4E4S8
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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