Basic information
- Standard SMILES
Cc1cc(Oc2ccc(CCC(=O)O)c(C)c2)cc(Oc2ccc(Cl)cc2Oc2ccccc2)c1- InChIKey
KTYRLONATYWFHZ-UHFFFAOYSA-N- Molecular formula
- C29H25ClO5
- Average molar mass
- 489 g/mol
- Monoisotopic mass
- 488.1390516
Names & identifiers
- Preferred name
- 3-{4-[3-(4-Chloro-2-phenoxy-phenoxy)-5-methyl-phenoxy]-2-methyl-phenyl}-propionic acid
- IUPAC
- 3-[4-[3-(4-chloro-2-phenoxyphenoxy)-5-methylphenoxy]-2-methylphenyl]propanoic acid
Names & synonyms
SCHEMBL4525120KTYRLONATYWFHZ-UHFFFAOYSA-N3-{4-[3-(4-Chloro-2-phenoxy-phenoxy)-5-methyl-phenoxy]-2-methyl-phenyl}-propionic acid
Database identifiers
- PubChem CID
- 11477347
- Nikkaji
- J2.302.926J
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 653
Related reactions
1 records
Compound notes
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