Basic information
- Standard SMILES
COc1ccc(CC(OC(C)C)C(=O)O)cc1COCc1ccc(Cl)cc1Cl- InChIKey
PHPBQNBBZMPWLC-UHFFFAOYSA-N- Molecular formula
- C21H24Cl2O5
- Average molar mass
- 427.3 g/mol
- Monoisotopic mass
- 426.1000792
Names & identifiers
- Preferred name
- 3-(3-[(2,4-Dichlorobenzyl)oxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid
- IUPAC
- 3-[3-[(2,4-dichlorophenyl)methoxymethyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoic acid
Names & synonyms
SCHEMBL6496306PHPBQNBBZMPWLC-UHFFFAOYSA-N3-(3-[(2,4-dichlorobenzyl)oxy]methyl-4-methoxyphenyl)-2-isopropoxypropanoic acid
Database identifiers
- PubChem CID
- 22493875
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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