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2-Methylbenzhydrol

CAT: 0013-GTR19176932-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176932-02Size:500 mg
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Description
2-Methylbenzhydrol is a chemical intermediate utilized in pharmaceutical research and development. It serves as a key building block in synthetic chemistry for the preparation of bioactive compounds, applicable in both in vitro biochemical assays and in vivo pharmacological studies.
CAS Number
5472-13-9
Product Name Alternative
2Methylbenzhydrol, 2-Methylbenzhydrol, 2 Methylbenzhydrol
Purity
99.45% (May vary between batches)
Solubility
DMSO:60 mg/mL (302.63 mM)
Smiles
Cc1ccccc1C (O) c1ccccc1
Molecular Formula
C14H14O
Molecular Weight
198.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Methylbenzhydrol

metabolite of orphenadrine; structure

CAS Number5472-13-9
PubChem CID95659
IUPAC Name(2-methylphenyl)-phenylmethanol
Molecular FormulaC14H14O
Molecular Weight198.26
XLogP3.1
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity184
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)O
InChI
InChI=1S/C14H14O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14-15H,1H3
InChIKey
MXHXXJOHFRHBFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylbenzhydrol
CAS: 5472-13-9
CID: 95659
Formula: C14H14O
MW: 198.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.26
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass198.104465066
Monoisotopic Mass198.104465066
Topological Polar Surface Area20.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity184
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

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Alternative Products

CatalogName
FM25786-012-Methylbenzhydrol
HY-N8860R2-Methylbenzhydrol (Standard)
OR12945-014-Methylbenzhydrol
sc-3230764-Chloro-4'-methylbenzhydrol
sc-3225263-Fluoro-3'-methylbenzhydrol
sc-3225723-Methoxy-4'-methylbenzhydrol
sc-3361464- (Dimethylamino) -4'-methylbenzhydrol
sc-3225703-Methoxy-3'-methylbenzhydrol
sc-3361524- (Ethylthio) -4'-methylbenzhydrol
sc-3361444- (Dimethylamino) -3'-methylbenzhydrol

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