3-[2-[5-(Methylthio)-2-(phenylmethoxy)phenyl]-1-cyclopenten-1-yl]benzoic acid

Base Information

• Chemical Name: 3-[2-[5-(Methylthio)-2-(phenylmethoxy)phenyl]-1-cyclopenten-1-yl]benzoic acid
• CAS No.: 612831-28-4
• Molecular Formula: C26H24O3S
• DSSTox Substance ID: DTXSID701139502
• Pharos Ligand ID: U438VT4YQXC2
• ChEMBL ID: CHEMBL234281

Synonyms:CHEMBL234281;SCHEMBL14499132;DTXSID701139502;3-[2-[5-(Methylthio)-2-(phenylmethoxy)phenyl]-1-cyclopenten-1-yl]benzoic acid;612831-28-4

Chemical Property of 3-[2-[5-(Methylthio)-2-(phenylmethoxy)phenyl]-1-cyclopenten-1-yl]benzoic acid

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 416.14461580
• Heavy Atom Count: 30
• Complexity: 609

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CSC1=CC(=C(C=C1)OCC2=CC=CC=C2)C3=C(CCC3)C4=CC(=CC=C4)C(=O)O

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