Basic information
- CAS
34643-12-4- Standard SMILES
CCC(C)c1ccc(Oc2ccc(C)cc2CC(=O)O)c(Cl)c1- InChIKey
GXEMWUSHSIBTJU-UHFFFAOYSA-N- Molecular formula
- C19H21ClO3
- Average molar mass
- 332.8 g/mol
- Monoisotopic mass
- 332.1179222
Names & identifiers
- Preferred name
- Benzeneacetic acid, 2-(2-chloro-4-(1-methylpropyl)phenoxy)-5-methyl-
- IUPAC
- 2-[2-(4-butan-2-yl-2-chlorophenoxy)-5-methylphenyl]acetic acid
Names & synonyms
BRN 275940934643-12-4Acetic acid, (2-(4-sec-butyl-2-chlorophenoxy)-5-methylphenyl)-2-(2-Chloro-4-(1-methylpropyl)phenoxy)-5-methyl-benzeneacetic acidBenzeneacetic acid, 2-(2-chloro-4-(1-methylpropyl)phenoxy)-5-methyl-RefChem:324113{2-[4-(butan-2-yl)-2-chlorophenoxy]-5-methylphenyl}acetic acidCHEMBL27482DTXSID00956139
Database identifiers
- CAS
34643-12-4- PubChem CID
- 214948
- DTXSID
DTXSID00956139- ChEMBL
CHEMBL27482
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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