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Benzene, 1,3-diphenoxy-

CAT: 0013-GTR19224616-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224616-01Size:100 mg
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Description
1,3-Diphenoxybenzene is a bioactive small molecule compound utilized in biochemical research. It serves as a chemical intermediate in the synthesis of more complex structures and is investigated in vitro for its potential interactions with biological targets.
CAS Number
3379-38-2
Smiles
O (c1ccccc1) c1cccc (Oc2ccccc2) c1
Molecular Formula
C18H14O2
Molecular Weight
262.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,3-Diphenoxybenzene

1,3-diphenoxybenzene is a diphenoxybenzene. It is functionally related to a 3-phenoxyphenol.

CAS Number3379-38-2
PubChem CID76911
IUPAC Name1,3-diphenoxybenzene
Molecular FormulaC18H14O2
Molecular Weight262.3
XLogP5.7
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity241
SMILES
C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H14O2/c1-3-8-15(9-4-1)19-17-12-7-13-18(14-17)20-16-10-5-2-6-11-16/h1-14H
InChIKey
JTNRGGLCSLZOOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Diphenoxybenzene
CAS: 3379-38-2
CID: 76911
Formula: C18H14O2
MW: 262.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.3
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass262.099379685
Monoisotopic Mass262.099379685
Topological Polar Surface Area18.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity241
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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