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38652-23-2 molecular structure
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3-cyclohexyl-1-(4-hydroxyphenyl)urea

ChemBase ID: 165207
Molecular Formular: C13H18N2O2
Molecular Mass: 234.29422
Monoisotopic Mass: 234.13682783
SMILES and InChIs

SMILES:
C1CCCC(C1)NC(=O)Nc1ccc(cc1)O
Canonical SMILES:
O=C(Nc1ccc(cc1)O)NC1CCCCC1
InChI:
InChI=1S/C13H18N2O2/c16-12-8-6-11(7-9-12)15-13(17)14-10-4-2-1-3-5-10/h6-10,16H,1-5H2,(H2,14,15,17)
InChIKey:
RQLAWYIMRBTCHU-UHFFFAOYSA-N

Cite this record

CBID:165207 http://www.chembase.cn/molecule-165207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-cyclohexyl-1-(4-hydroxyphenyl)urea
IUPAC Traditional name
3-cyclohexyl-1-(4-hydroxyphenyl)urea
Synonyms
N-Cyclohexyl-N'-(4-hydroxyphenyl)urea
N-Cyclohexyl-N'-(p-hydroxyphenyl)urea
1-Cyclohexyl-3-(4-hydroxyphenyl)urea
CAS Number
38652-23-2
PubChem SID
162259340
PubChem CID
4051140

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC C988025 external link Add to cart
PubChem 4051140 external link
Data Source Data ID Price
TRC
C988025 external link Add to cart Please log in.
Data Source Data ID
PubChem 4051140 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.391627  H Acceptors
H Donor LogD (pH = 5.5) 2.5967364 
LogD (pH = 7.4) 2.592413  Log P 2.596792 
Molar Refractivity 67.4895 cm3 Polarizability 25.426558 Å3
Polar Surface Area 61.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
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MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C988025 external link
Talinolol intermediate.

REFERENCES

REFERENCES

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  • • Viswanathan, C., et al.: Bioorg. Med. Chem., 14, 6581 (2006)
  • • Matveeva, E., et al.: Curr. Pharm. Biotechnol., 10, 589 (2006)
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PATENTS

PATENTS

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INTERNET

INTERNET

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