Molecular Details
DICL_CP_0316504
- 4-phenoxybutoxybenzene
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316504
PubChem CID
Molecular Formula
C16H18O2 Molecular Weight
242.318 g/mol
Synonyms/Alias
[1;4-Diphenoxybutane; 3459-88-9; 4-phenoxybutoxybenzene; (4-PHENOXYBUTOXY)BENZENE; CHEMBL562547; Benzene; 1;1-(1;4-butanediylbis(oxy))bis-; Benzene; 1;1-[1;4-butanediylbis(oxy)]bis-; NSC99254; 1;4-bis...
InChI Key
PMVVWYMWJBCMMI-UHFFFAOYSA-N
InChI
InChI=1S/C16H18O2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
IUPAC Name
4-phenoxybutoxybenzene
CAS Number
84-62-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
36 37 0 0 0 0 0 0 0 0999 V2000
-5.6145 1.2312 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8211 0.6205 -1.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6990 -0.126...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 3
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 20000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
40 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
7
logP
3.9246
Complexity
73.108
TPSA (Ų)
18.46
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
2