4-Butylresorcinol

CAT: 0127-OR936805-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR936805-01Size:250 mg

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CAS Number

18979-61-8

MDL Number

MFCD01684800

Purity

98%

Smiles

CCCCc1ccc(O)cc1O

Chemical Information

4-Butylresorcinol

4-n-Butylresorcinol is a member of resorcinols.

CAS Number	18979-61-8
PubChem CID	205912
IUPAC Name	4-butylbenzene-1,3-diol
Molecular Formula	C10H14O2
Molecular Weight	166.22
XLogP	2.4
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	125

SMILES

CCCCC1=C(C=C(C=C1)O)O

InChI

InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3

InChIKey

CSHZYWUPJWVTMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 18979-61-8

CID: 205912

Formula: C10H14O2

MW: 166.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	166.22
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	166.099379685
Monoisotopic Mass	166.099379685
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	125
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
PC5215	4,4,4,4',4',4'-Hexafluorovaline hydrochloride
PC6412	4,4,4-Trifluorobutyl 4,4,4-trifluorobutanoate
OR1011275-01	4,4',4'',4'''-Methanetetrayltetraphenol
OR1011273-01	4,4',4'',4'''-Methanetetrayltetrabenzaldehyde
OR1011238-01	4,4,4,4-Silanetetrayltetrabenzaldehyde
PC4810-01	4,4,4,4',4',4'-Hexafluoro-DL-valine
PC450233-01	4,4,4,4',4',4'-Hexafluorovaline, ethyl ester
OR1011274-01	4,4',4'',4'''-Methanetetrayltetrabenzoic Acid
IN11625	(4,4′,4′′,4′′′-Tetraaminophthalocyaninato) cobalt
OR1001790-01	4,4',4'',4'''-Silanetetrayltetrabenzoic acid

Catalog	Name
RG-A262682-01	4-Butylresorcinol
FB168030-01	4-n-Butylresorcinol
A13490-50	4-Butylresorcinol 50mg
A13490-100	4-Butylresorcinol 100mg
HY-107369R-01	4-Butylresorcinol (Standard)
A13490-500	4-Butylresorcinol 500mg
TRC-B850055-100MG	5-Butylresorcinol
sc-233081	4,6-Di-tert-butylresorcinol
A13490-10mM-D	4-Butylresorcinol 10mM * 1mL in DMSO
TRC-B850057-100MG	5-Butylresorcinol-d7