Diphenoxymethane

CAT: 0127-OR1037812-02Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1037812-02Size:25 g

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CAS Number

4442-41-5

MDL Number

MFCD00191642

Purity

98%

Smiles

O(C=1C=CC=CC1)COC=2C=CC=CC2

Chemical Information

Diphenoxymethane

CAS Number	4442-41-5
PubChem CID	78183
IUPAC Name	phenoxymethoxybenzene
Molecular Formula	C13H12O2
Molecular Weight	200.23
XLogP	3.9
Topological Polar Surface Area	18.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	15
Formal Charge	0
Complexity	140

SMILES

C1=CC=C(C=C1)OCOC2=CC=CC=C2

InChI

InChI=1S/C13H12O2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2

InChIKey

VTXLTXPNXYLCQD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4442-41-5

CID: 78183

Formula: C13H12O2

MW: 200.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.23
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	200.083729621
Monoisotopic Mass	200.083729621
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	140
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1009127-01	1,2-Diphenoxyethane

Catalog	Name
sc-485878	Diphenoxymethane