Basic information
- Standard SMILES
CCOC(=O)C1(C(=O)OCC)CCc2cc3c(cc2C1c1cc(OC)c(O)c(OC)c1)OCO3- InChIKey
WIFOQGVXQLSBHQ-UHFFFAOYSA-N- Molecular formula
- C25H28O9
- Average molar mass
- 472.5 g/mol
Names & identifiers
- Preferred name
- 2,2-Dicarbethoxy-1-(4'-hydroxy-3',5'-dimethoxyphenyl)-6,7-methylenedioxytetralin
- IUPAC
- diethyl 5-(4-hydroxy-3,5-dimethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxole-6,6-dicarboxylate
Names & synonyms
SCHEMBL11642728WIFOQGVXQLSBHQ-UHFFFAOYSA-N2,2 -dicarbethoxy-1-(4'-hydroxy-3',5'-dimethoxyphenyl)-6,7-methylenedioxytetralin
Database identifiers
- PubChem CID
- 12409762
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 695
Related reactions
1 records
Compound notes
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