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4,4'-Dimethoxybenzophenone

CAT: 0013-GTR19254151-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19254151-01Size:1 g
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Description
4,4'-Dimethoxybenzophenone, with CAS No. 90-96-0, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 4,4'-Dimethoxybenzophenone provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
90-96-0
Product Name Alternative
4,4' Dimethoxybenzophenone, 4,4'Dimethoxybenzophenone
Purity
99.56% (May vary between batches)
Smiles
COC1=CC=C (C=C1) C (=O) C1=CC=C (OC) C=C1
Molecular Formula
C15H14O3
Molecular Weight
242.274
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

4,4'-Dimethoxybenzophenone

structure in first source

CAS Number90-96-0
PubChem CID7032
IUPAC Namebis(4-methoxyphenyl)methanone
Molecular FormulaC15H14O3
Molecular Weight242.27
XLogP3.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity235
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
InChIKey
RFVHVYKVRGKLNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dimethoxybenzophenone
CAS: 90-96-0
CID: 7032
Formula: C15H14O3
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass242.094294304
Monoisotopic Mass242.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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