Home Other Building Blocks 1006-59-3
1006-59-3,MFCD01707589
Catalog No.:AA0002D3
1006-59-3 | 2,6-Diethylphenol
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1g
95%
in stock  
$74.00   $52.00
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5g
95%
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$212.00   $148.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0002D3
Chemical Name:
2,6-Diethylphenol
CAS Number:
1006-59-3
Molecular Formula:
C10H14O
Molecular Weight:
150.2176
MDL Number:
MFCD01707589
IUPAC Name:
2,6-diethylphenol
InChI:
InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3
InChI Key:
METWAQRCMRWDAW-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1O)CC
EC Number:
213-744-8
UNII:
FXC69FTD6U
Properties
Computed Properties
 
Complexity:
99.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.104g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.221g/mol
Monoisotopic Mass:
150.104g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
2,6-Diethylphenol 
1006-59-3 
W-108949 
2,6-Diethyphenol 
DIE 
2,6-Diethyl-phenol 
AC1L2E8H 
4-06-00-03351 (Beilstein Handbook Reference) 
SCHEMBL199730 
2,6-Diethylphenol, AldrichCPR 
Jsp000151 
DTXSID5061401 
Phenol, 2,6-diethyl- 
CTK0H8569 
3f34 
3f35 
ALBB-008787 
KS-000024MZ 
ZINC2004532 
ZX-AN007685 
ZX-CM007003 
ANW-47561 
BDBM50409540 
UNII-FXC69FTD6U 
CD-091 
FCH844189 
MFCD01707589 
STK505573 
AKOS000321194 
AM84301 
CS-W006844 
DS-1661 
LS11742 
AC-11162 
BRN 2207162 
AJ-32440 
AN-48278 
BR-45579 
CJ-07337 
AX8068254 
LS-104352 
ST2415928 
TR-000224 
4CH-014868 
FT-0655217 
EINECS 213-744-8 
X8517 
S-4751 
A800254 
I01-6924 
4030293-25G 
UNII-O7TO8QV9YC component METWAQRCMRWDAW-UHFFFAOYSA-N 
C10H14O 
CID70507 
C10-H14-O 
2078-54-8 
FXC69FTD6U 
CHEMBL30014 
METWAQRCMRWDAW-UHFFFAOYSA-N 
AK-45579 
Literature

Title: Recognition of anesthetic barbiturates by a protein binding site: a high resolution structural analysis.

Journal: PloS one 20120101

Title: A unitary anesthetic binding site at high resolution.

Journal: The Journal of biological chemistry 20090904

Title: 4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor.

Journal: Journal of medicinal chemistry 20020718

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