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Fenocinol

CAT: 0013-GTR19242484-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242484-02Size:10 mg
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Description
Fenocinol is a diarylmethane-based small molecule known for its choleretic activity, promoting bile secretion. This property makes it a useful research tool for investigating hepatobiliary function and cholestatic liver diseases in both in vitro and in vivo experimental models.
CAS Number
3671-05-4
Smiles
OC (C=1C=CC=CC1) (C2=CC=C (OC) C=C2OC) C
Molecular Formula
C16H18O3
Molecular Weight
258.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fenocinol
CAS Number3671-05-4
PubChem CID71654
IUPAC Name1-(2,4-dimethoxyphenyl)-1-phenylethanol
Molecular FormulaC16H18O3
Molecular Weight258.31
XLogP2.9
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity275
SMILES
CC(C1=CC=CC=C1)(C2=C(C=C(C=C2)OC)OC)O
InChI
InChI=1S/C16H18O3/c1-16(17,12-7-5-4-6-8-12)14-10-9-13(18-2)11-15(14)19-3/h4-11,17H,1-3H3
InChIKey
WQFUGXLJDDEHRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenocinol
CAS: 3671-05-4
CID: 71654
Formula: C16H18O3
MW: 258.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.31
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass258.125594432
Monoisotopic Mass258.125594432
Topological Polar Surface Area38.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202071-01Fenocinol

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