1-cyclohexyl-4-methoxybenzene

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CAS Number

613-36-5

MDL Number

MFCD00019340

Smiles

C1c (ccc (c1) OC) C1CCCCC1

Chemical Information

1-Cyclohexyl-4-methoxybenzene

CAS Number	613-36-5
PubChem CID	221526
IUPAC Name	1-cyclohexyl-4-methoxybenzene
Molecular Formula	C13H18O
Molecular Weight	190.28
XLogP	4.5
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	153

SMILES

COC1=CC=C(C=C1)C2CCCCC2

InChI

InChI=1S/C13H18O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3

InChIKey

YJJPDZNZPQKZGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 613-36-5

CID: 221526

Formula: C13H18O

MW: 190.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.28
XLogP3	4.5
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	153
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
OR1095490-01	2-Bromo-4-cyclohexyl-1-methoxybenzene
OR1090425-01	4-Cyclohexyl-2-iodo-1-methoxybenzene
OR1087735-01	1-cyclohexyl-2-methoxybenzene
OR1086132-01	1-butyl-4-methoxybenzene
OR79330-01	1- (Dimethoxymethyl) -4-methoxybenzene
OR1067006-01	1- (Ethoxymethyl) -4-methoxybenzene
OR307193	1-Cyclopropyl-4-methoxybenzene
OR0866	1- (4-Bromobutoxy) -4-methoxybenzene
OR1097684	1- (diethoxymethyl) -4-methoxybenzene
OR1097013-01	1-cyclopentyl-4-methoxybenzene

Catalog	Name
A965865	1-Azido-4-methoxybenzene
TRC-I566510-10G	1-(Isocyanatomethyl)-4-methoxybenzene
VCA97837	1- (azidomethyl) -4-methoxybenzene
RG-A260216-01	1- (Chloromethyl) -4-Methoxybenzene
FH 10 0029-01	1-iodo-4-methoxybenzene
408010-01	1- (4-Bromophenoxymethyl) -4-methoxybenzene
BAA71269	1-Isopropenyl-4-methoxybenzene
RG-A263057-01	1-Chloro-4-Methoxybenzene
AAA65817-01	1- (Difluoromethyl) -4-methoxybenzene
NAA86556-01	1- (Diphenylmethyl) -4-methoxybenzene