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Flumecinol

CAT: 0013-GTR19195434-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195434-02Size:50 mg
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Description
Flumecinol is a small molecule inducer of hepatic cytochrome P-450 monooxygenases. It is used in biochemical research to study enzyme induction, drug metabolism, and hepatotoxicity in both in vitro and in vivo experimental models.
CAS Number
56430-99-0
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CC) (O) (C1=CC (C (F) (F) F) =CC=C1) C2=CC=CC=C2
Molecular Formula
C16H15F3O
Molecular Weight
280.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol

Flumecinol is a diarylmethane.

CAS Number56430-99-0
PubChem CID41870
IUPAC Name1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
Molecular FormulaC16H15F3O
Molecular Weight280.28
XLogP4.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity309
SMILES
CCC(C1=CC=CC=C1)(C2=CC(=CC=C2)C(F)(F)F)O
InChI
InChI=1S/C16H15F3O/c1-2-15(20,12-7-4-3-5-8-12)13-9-6-10-14(11-13)16(17,18)19/h3-11,20H,2H2,1H3
InChIKey
DVASNQYQOZHAJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CAS: 56430-99-0
CID: 41870
Formula: C16H15F3O
MW: 280.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.28
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass280.10749958
Monoisotopic Mass280.10749958
Topological Polar Surface Area20.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity309
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
T31815-01Flumecinol

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