rel-5-(1,1-Dimethylheptyl)-2-[(1R,3S)-3-hydroxycyclohexyl]phenol

Base Information

• Chemical Name: rel-5-(1,1-Dimethylheptyl)-2-[(1R,3S)-3-hydroxycyclohexyl]phenol
• CAS No.: 114753-51-4
• Molecular Formula: C21H34O2
• Molecular Weight: 318.49300
• UNII: 9V4RAM3XWR,FAPQAUKC04
• ChEMBL ID: CHEMBL163701
• DSSTox Substance ID: DTXSID901017837
• Nikkaji Number: J384.301G
• Wikipedia: CP_47,497
• Mol file: 114753-51-4.mol

Synonyms:3-(2-hydroxy-4-(1,1-dimethylheptylphenyl)cyclohexan-1-ol);3-(4-(1,1-dimethylheptyl)-2-hydroxyphenyl)cyclohexanol;cis-3-(2-hydroxy-4-(1,1-dimethylheptylphenyl)-cyclohexan-1-ol);CP 47,497;CP 47497;CP-47,497

Chemical Property of rel-5-(1,1-Dimethylheptyl)-2-[(1R,3S)-3-hydroxycyclohexyl]phenol

Chemical Property:

• Boiling Point: 421.2±45.0 °C(Predicted)
• PKA: 10.25±0.40(Predicted)
• PSA: 40.46000
• Density: 1.010±0.06 g/cm3(Predicted)
• LogP: 5.65870
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 318.255880323
• Heavy Atom Count: 23
• Complexity: 339

Purity/Quality:

98%min ^*data from raw suppliers

(-)-CP 47,497 (exempt preparation) ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)O
• Isomeric SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2CCC[C@H](C2)O)O
• Uses: (-)-CP-47947, is a cannabinoid receptor ligand.