Irisresorcinol

Base Information

• Chemical Name: Irisresorcinol
• CAS No.: 52483-21-3
• Molecular Formula: C23H38O2
• Molecular Weight: 346.554
• Wikidata: Q76423390
• Mol file: 52483-21-3.mol

Synonyms:Irisresorcinol;5-[(E)-heptadec-10-enyl]benzene-1,3-diol;5-(10Z)-10-Heptadecen-1-yl-1,3-benzenediol;52483-21-3;5-(10-Heptadecenyl)resorcinol;5-(10-Heptadecenyl)-1,3-benzenediol, 9CI

Chemical Property of Irisresorcinol

Chemical Property:

• PSA: 40.46000
• LogP: 7.28770
• XLogP3: 9.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 346.287180451
• Heavy Atom Count: 25
• Complexity: 303

Purity/Quality:

99% ^*data from raw suppliers

5-(10Z)-10-Heptadecen-1-yl-1,3-benzenediol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC=CCCCCCCCCCC1=CC(=CC(=C1)O)O
• Isomeric SMILES: CCCCCC/C=C/CCCCCCCCCC1=CC(=CC(=C1)O)O
• Uses: 5-(10Z)-10-Heptadecen-1-yl-1,3-benzenediol is isolated from seeds of Iris bungei and was shown to exhibit strong cytotoxic effect in mouse prostate cancer cell.

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