Basic information
- Standard SMILES
CCOC(=O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2C1(O)c1ccc(OC)cc1- InChIKey
NDZRBBGEXZWYEW-UHFFFAOYSA-N- Molecular formula
- C26H22O6
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 430.14163842
Names & identifiers
- Preferred name
- Ethyl(1RS)-1-Hydroxy-1-(4-methoxyphenyl)-3-(3,4-methylenedioxyphenyl)indene-2-carboxylate
- IUPAC
- ethyl 3-(1,3-benzodioxol-5-yl)-1-hydroxy-1-(4-methoxyphenyl)indene-2-carboxylate
Names & synonyms
SCHEMBL8626015NDZRBBGEXZWYEW-UHFFFAOYSA-NEthyl (1RS)-1-Hydroxy-1-(4-methoxyphenyl)-3-(3,4-methylenedioxyphenyl)indene-2-carboxylateethyl(1RS)-1-hydroxy-1-(4-methoxyphenyl)-3-(3,4-methylenedioxyphenyl)-indene-2-carboxylateEthyl(1RS)-1-Hydroxy-1-(4-methoxyphenyl)-3-(3,4-methylenedioxyphenyl)indene-2-carboxylateethyl (1RS)-1-hydroxy-1-(4-methoxyphenyl)-3-(3,4-methylenedioxyphenyl)-indene-2-carboxylate
Database identifiers
- PubChem CID
- 18969645
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 726
Related reactions
11 records
Compound notes
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