4- (pentyloxy) phenol

CAT: 0024-sc-348386ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-348386ASize:1 g

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CAS Number

18979-53-8

Chemical Information

p-Pentyloxyphenol

CAS Number	18979-53-8
PubChem CID	29353
IUPAC Name	4-pentoxyphenol
Molecular Formula	C11H16O2
Molecular Weight	180.24
XLogP	3.5
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	117

SMILES

CCCCCOC1=CC=C(C=C1)O

InChI

InChI=1S/C11H16O2/c1-2-3-4-9-13-11-7-5-10(12)6-8-11/h5-8,12H,2-4,9H2,1H3

InChIKey

JCLFHZLOKITRCE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18979-53-8

CID: 29353

Formula: C11H16O2

MW: 180.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.24
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	180.115029749
Monoisotopic Mass	180.115029749
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	117
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
sc-273172	1-[4- (pentyloxy) phenyl]ethanone
sc-353183A	Cyclopropyl[4- (pentyloxy) phenyl]methanone
sc-353183	Cyclopropyl[4- (pentyloxy) phenyl]methanone
sc-299289	4- (4'- (2-Pentyloxy) phenyl) phenylboronic acid
sc-310961	4-[4'- (3-Pentyloxy) phenyl]phenylboronic acid
sc-289614	4- (pentyloxy) benzoyl chloride
sc-334496	(1S) -1-[4- (pentyloxy) phenyl]ethanol
sc-334330A	(1R) -1-[4- (pentyloxy) phenyl]ethanamine
sc-334495	(1S) -1-[4- (pentyloxy) phenyl]ethanamine
sc-334331	(1R) -1-[4- (pentyloxy) phenyl]ethanol

Catalog	Name
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OR1003859-01	4- (Pentyloxy) benzamide
OR1034385-01	4- (Pentyloxy) aniline
OR1037643-01	4- (Pentyloxy) phthalonitrile
OR1061026-01	3- (Pentyloxy) thiophene
OR75275-01	4- (Pentyloxy) benzoic acid
OR1024632	4- (Pentyloxy) Benzoyl Chloride