2-(4-{[(1R,2S)-2-Hydroxycyclopentyl]methyl}phenyl)propanoic acid

Base Information

• Chemical Name: 2-(4-{[(1R,2S)-2-Hydroxycyclopentyl]methyl}phenyl)propanoic acid
• CAS No.: 371753-19-4
• Molecular Formula: C15H20O3
• Molecular Weight: 248.32
• DSSTox Substance ID: DTXSID50522065
• Nikkaji Number: J346.638H
• ChEMBL ID: CHEMBL1275942
• Mol file: 371753-19-4.mol

Synonyms:rac trans-Loxoprofen Alcohol;371753-19-4;Loxoprofen srs;2-(4-{[(1R,2S)-2-Hydroxycyclopentyl]methyl}phenyl)propanoic acid;2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid;CHEMBL1275942;SCHEMBL21128643;DTXSID50522065;rel-4-[[(1R,2S)-2-Hydroxycyclopentyl]methyl]-alpha-methylbenzeneacetic Acid

Chemical Property of 2-(4-{[(1R,2S)-2-Hydroxycyclopentyl]methyl}phenyl)propanoic acid

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 248.14124450
• Heavy Atom Count: 18
• Complexity: 282

Purity/Quality:

98% ^*data from raw suppliers

ractrans-LoxoprofenAlcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)CC2CCCC2O)C(=O)O
• Isomeric SMILES: CC(C1=CC=C(C=C1)C[C@H]2CCC[C@@H]2O)C(=O)O
• Uses: The cis-alcohol metabolite of Loxoprofen (L472900).