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Substance Name: CP-47497
RN: 114753-51-4
UNII: 9V4RAM3XWR
InChIKey: ZWWRREXSUJTKNN-FUHWJXTLSA-N

Molecular Formula

  • C21-H34-O2

Molecular Weight

  • 318.4976
 
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Names and Synonyms

Name of Substance

  • CP-47497

Synonyms

  • (-)-CP-47947
  • (C7)-Cp 47,497
  • (C7)-CP-47497
  • 2-((1R,3S)-3-Hydroxycyclohexyl)- 5-(2-methyloctan-2-yl)phenol
  • CP 47,497
  • CP-47497
  • J388.085K
  • Phenol, 5-(1,1-dimethylheptyl)-2-((1R,3S)-3-hydroxycyclohexyl)-, rel-
  • Phenol, 5-(1,1-dimethylheptyl)-2-(3-hydroxycyclohexyl)-, cis-
  • UNII-9V4RAM3XWR

Registry Numbers

CAS Registry Number

  • 114753-51-4

FDA UNII

  • 9V4RAM3XWR

System Generated Number

  • 0114753514

Structure Descriptors

InChI

1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18+/m0/s1

InChIKey

ZWWRREXSUJTKNN-FUHWJXTLSA-N

Smiles

CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.68 (none)   EXP
Water Solubility 0.232 mg/L 25 EST
Vapor Pressure 1.31E-09 mm Hg 25 EST
Henry's Law Constant 4.38E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.15E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.