Basic information
- Standard SMILES
CCCc1cc(CO)cc(Cl)c1OC(C(=O)OC)c1ccc2c(c1)OCO2- InChIKey
XYLWUHBCQUWDHR-UHFFFAOYSA-N- Molecular formula
- C20H21ClO6
- Average molar mass
- 392.8 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(2-chloro-4-hydroxymethyl-6-propylphenoxy)-2-(3,4-methylenedioxyphenyl)acetate
- IUPAC
- methyl 2-(1,3-benzodioxol-5-yl)-2-[2-chloro-4-(hydroxymethyl)-6-propylphenoxy]acetate
Names & synonyms
SCHEMBL9138986XYLWUHBCQUWDHR-UHFFFAOYSA-Nmethyl 2-(2-chloro-4-hydroxymethyl-6-propylphenoxy)-2-(3,4-methylenedioxyphenyl)acetate
Database identifiers
- PubChem CID
- 20089199
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 489
Related reactions
4 records
Compound notes
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