Phenylethyl Methyl Ether

CAT: 0926-DAA55860-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-DAA55860-01Size:0.25 g

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CAS Number

3558-60-9

MDL Number

MFCD00025912

Smiles

COCCC1=CC=CC=C1

Molecular Formula

C9H12O

Molecular Weight

136.19 g/mol

Controlled

Chemical Information

Methyl phenethyl ether

(2-Methoxyethyl)benzene is a member of benzenes.

CAS Number	3558-60-9
PubChem CID	19089
IUPAC Name	2-methoxyethylbenzene
Molecular Formula	C9H12O
Molecular Weight	136.19
XLogP	2.2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	74

SMILES

COCCC1=CC=CC=C1

InChI

InChI=1S/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3

InChIKey

CQLYXIUHVFRXLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3558-60-9

CID: 19089

Formula: C9H12O

MW: 136.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.19
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	136.088815002
Monoisotopic Mass	136.088815002
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	74.8
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
HBA51224	Methyl (1-phenylethyl) amine
FT28422-01	Triclosan methyl ether
FB07105-01	Bromomethyl methyl ether
AAA53886	Benzyl methyl ether
FT65638-01	Triptophenolide methyl ether
FC146205-01	Cyclopentyl methyl ether
HAA28952	Decyl Methyl Ether
KCA31489-01	Geissoschizine methyl ether
FA17265-01	Albuterol methyl ether
NCA67588-01	LY88074 methyl ether

Catalog	Name
462455-01	Phenylethyl Methyl Ether
OR926112-01	2-Phenylethyl phenyl ether
P12020-01	2-Phenylethyl phenyl ether 99%
MBS6046747-01	Triclosan Methyl Ether (Methyl Ether Triclosan)
050165-01	Chloro Methyl Methyl Ether
MBS6020627-01	2-(1-Phenylethyl) Nor Reticuline Dibenzyl Ether
019500	2- (1-Phenylethyl) Nor Reticuline Dibenzyl Ether
OR1079382-01	Methyl (1-phenylethyl) tellane
239811-01	Methyl (1-phenylethyl) amine
HY-W049970-01	Carvacrol methyl ether