phenol

CAS:
Other names:
SMILES: Oc1ccccc1

Properties

MW HBA HBD LogP TPSA Rot. Comp. Fsp3C Brutto formula
94.11 1 1 1.39 20.23 0 12 0.00 C6H6O

Availability

Suppliers Supplier IDs Storage Storage ID Quantity Class Added
SF_C449 None Jan. 1, 2023

Bar codes

Plate barcode Sample barcode

PAINS

Identified PAINS
Not checked

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[phenol ] 1.27 0.11 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[phenol ] 1.78 0.76 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[phenol ] 0.41 0.15 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenol ] 1.72 0.75 7.0 22.0 NMR titration Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[phenol ] 0.64 0.40 8.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[phenol ] 1.03 0.60 4.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[phenol ] 0.88 -0.15 8.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[phenol ] 1.23 0.96 4.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[phenol ] 1.47 -0.05 8.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[phenol ] 1.36 0.32 4.5 22.0 affinity capillary electrophoresis Daniel W. Armstrong 2006
Comment