Bis (p-methylbenzyl) ether

CAT: 0127-OR1095563-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1095563-01Size:1 g

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CAS Number

38460-98-9

Purity

95%

Smiles

C (OCc1ccc (C) cc1) c1ccc (C) cc1

Chemical Information

Bis(4-methylbenzyl) ether

CAS Number	38460-98-9
PubChem CID	12350145
IUPAC Name	1-methyl-4-[(4-methylphenyl)methoxymethyl]benzene
Molecular Formula	C16H18O
Molecular Weight	226.31
XLogP	3.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	176

SMILES

CC1=CC=C(C=C1)COCC2=CC=C(C=C2)C

InChI

InChI=1S/C16H18O/c1-13-3-7-15(8-4-13)11-17-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3

InChIKey

UJIUKTDUCYLQBN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 38460-98-9

CID: 12350145

Formula: C16H18O

MW: 226.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.31
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	226.135765193
Monoisotopic Mass	226.135765193
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	176
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
OR1042934-01	Bis (p-phenoxyphenyl) ether
OR315764	Bis (4-methylbenzyl) methanimine
PC0341	Bis (fluoromethyl) ether
OR1076672	Bis (chloromethyl) ether
PC107942	Bis (hexafluoroisopropoxymethyl) ether
PC107944	Bis (hexafluoroisopropyl) ether
OR18271-01	Bis (2-iodoethyl) ether
PC107932	Bis (3-fluoropropyl) ether
OR79344-01	Bis (4-chlorobutyl) ether
OR42237-01	Bis (2-bromoethyl) ether

Catalog	Name
M12510	A-Methylbenzyl ether
sc-228893	P-Tolyl ether
461868	P-Methoxyphenethyl Methyl Ether
TRC-B400100-10G	Bis(p-acetylaminophenyl) Ether
sc-503592	Bis (p-acetylaminophenyl) Ether
sc-281119	P-Xylene dimethyl ether
sc-478166	P-Nitrophenethyl Methyl Ether
N11365	P-Nitrophenyl Phenyl Ether
162891	Bis (p-aminophenyl) Ether
TRC-B405510-50G	Bis(p-aminophenyl) Ether