Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1ccc(OCCCC#Cc2ccc(Cl)cc2)cc1C- InChIKey
CUYYBEGYZKYUIH-UHFFFAOYSA-N- Molecular formula
- C24H27ClO4
- Average molar mass
- 414.9 g/mol
Names & identifiers
- Preferred name
- 2-{4-[5-(4-Chloro-phenyl)-pent-4-ynyloxy]-2-methyl-phenoxy}-2-methyl-propionic acid ethyl ester
- IUPAC
- ethyl 2-[4-[5-(4-chlorophenyl)pent-4-ynoxy]-2-methylphenoxy]-2-methylpropanoate
Names & synonyms
SCHEMBL5484292CUYYBEGYZKYUIH-UHFFFAOYSA-N2-{4-[5-(4-Chloro-phenyl)-pent-4-ynyloxy]-2-methyl-phenoxy}-2-methyl-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 69458983
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 568
Related reactions
2 records
Compound notes
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