Basic information
- Standard SMILES
CCOC(=O)C1=C(c2ccc3c(c2)OCO3)c2ccccc2C1(O)c1ccc(F)cc1- InChIKey
KCVMJZPYXOWCQS-UHFFFAOYSA-N- Molecular formula
- C25H19FO5
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.12165186
Names & identifiers
- Preferred name
- Ethyl (1RS)-1-(4-Fluorophenyl)-1-hydroxy-3-(3,4-methylenedioxyphenyl)indene-2-carboxylate
- IUPAC
- ethyl 3-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-1-hydroxyindene-2-carboxylate
Names & synonyms
SCHEMBL8623907KCVMJZPYXOWCQS-UHFFFAOYSA-NEthyl (1RS)-1-(4-Fluorophenyl)-1-hydroxy-3-(3,4-methylenedioxyphenyl)indene-2-carboxylateethyl (1RS)-1-(4-fluorophenyl)-1-hydroxy-3-(3,4methylenedioxyphenyl)indene-2-carboxylateEthyl(1RS)-1-(4-Fluorophenyl)-1-hydroxy-3-(3,4-methylenedioxyphenyl)indene-2-carboxylate
Database identifiers
- PubChem CID
- 18969656
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 715
Related reactions
13 records
Compound notes
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