5- (4-Chlorophenoxy) pentan-1-ol

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CAS Number

60222-71-1

MDL Number

MFCD00143402

Smiles

OCCCCCOc1ccc (Cl) cc1

Chemical Information

5-(4-Chlorophenoxy)pentan-1-ol

CAS Number	60222-71-1
PubChem CID	2794897
IUPAC Name	5-(4-chlorophenoxy)pentan-1-ol
Molecular Formula	C11H15ClO2
Molecular Weight	214.69
XLogP	3
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	14
Formal Charge	0
Complexity	133

SMILES

C1=CC(=CC=C1OCCCCCO)Cl

InChI

InChI=1S/C11H15ClO2/c12-10-4-6-11(7-5-10)14-9-3-1-2-8-13/h4-7,13H,1-3,8-9H2

InChIKey

RPTVYVVKNVSHMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60222-71-1

CID: 2794897

Formula: C11H15ClO2

MW: 214.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.69
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	214.0760574
Monoisotopic Mass	214.0760574
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	133
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
PC6612	4-Iodo-5- (perfluorohexyl) pentan-1-ol
PC6606	5- (Perfluorohexyl) pentan-1-ol
OR1041574-01	5- (Methylamino) pentan-1-ol
OR1041332-01	5- (Trimethylsilyl) pentan-1-ol
OR322286-01	5- (Benzyloxy) pentan-1-ol
PC6932G	4,5,5,5-Tetrafluoro-4- (trifluoromethyl) pentan-1-ol
PC6931T	4,5,5,5-Tetrafluoro-4- (trifluoromethoxy) pentan-1-ol
PC6788M	4,5,5,5-Tetrafluoro-4- (heptafluoropropoxy) pentan-1-ol
OR5324-01	Pentan-1-ol
OR1093821-01	1- (4-bromophenyl) pentan-1-ol

Catalog	Name
GTR19251988-01	5- (4-Chlorophenoxy) pentan-1-ol
ALC51905-01	4- ((4-Methoxybenzyl) amino) pentan-1-ol
sc-288928	3-Amino-4-methyl-pentan-1-ol
MDA81051-01	(2S) -2- (4-Chlorophenoxy) propan-1-ol
sc-315750	4-Amino-4-methyl-pentan-2-ol
HDA59042	4-Amino-5- (3-methoxyphenyl) pentan-1-ol
PZC05240-01	4,4-Dimethyl-2- (methylamino) pentan-1-ol hydrochloride
GTR19235923	4- (4-chlorophenoxy) -3,3,4,4-tetrafluorobutan-1-ol
ZKC19589-01	4-{[ (2-Fluorophenyl) methyl]amino}pentan-1-ol
VKC30963-01	4-{[ (2-Bromophenyl) methyl]amino}pentan-1-ol