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3’,5’-Dibenzyloxyacetophenone

CAT: 0572-TRC-D417970-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D417970-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28924-21-2
Hazard Statement
No Data Available
Smiles
CC(=O)c1cc(OCc2ccccc2)cc(OCc3ccccc3)c1
Molecular Formula
C22 H20 O3
Molecular Weight
332.39
InChI
InChI=1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
Additionnal Information
IUPAC name: 1-[3,5-bis(phenylmethoxy)phenyl]ethanone
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ethanone, 1-(3,5-bis(phenylmethoxy)phenyl)-
CAS Number28924-21-2
PubChem CID120098
IUPAC Name1-[3,5-bis(phenylmethoxy)phenyl]ethanone
Molecular FormulaC22H20O3
Molecular Weight332.4
XLogP4.5
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity366
SMILES
CC(=O)C1=CC(=CC(=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C22H20O3/c1-17(23)20-12-21(24-15-18-8-4-2-5-9-18)14-22(13-20)25-16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChIKey
KOJXGMJOTRYLBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanone, 1-(3,5-bis(phenylmethoxy)phenyl)-
CAS: 28924-21-2
CID: 120098
Formula: C22H20O3
MW: 332.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass332.14124450
Monoisotopic Mass332.14124450
Topological Polar Surface Area35.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity366
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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