1-cyclohexyl-2-methoxybenzene

CAT: 0127-OR1087735-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1087735-01Size:250 mg

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CAS Number

2206-48-6

MDL Number

MFCD00045472

Purity

97%

Smiles

C1cccc (c1OC) C1CCCCC1

Chemical Information

2-Cyclohexylanisole

CAS Number	2206-48-6
PubChem CID	221156
IUPAC Name	1-cyclohexyl-2-methoxybenzene
Molecular Formula	C13H18O
Molecular Weight	190.28
XLogP	4.8
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	161

SMILES

COC1=CC=CC=C1C2CCCCC2

InChI

InChI=1S/C13H18O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3

InChIKey

CMMWEZJMZPQGJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2206-48-6

CID: 221156

Formula: C13H18O

MW: 190.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.28
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	190.135765193
Monoisotopic Mass	190.135765193
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	161
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

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