2-Octylphenol

CAT: 1596-AR-P31140-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-P31140-05Size:150

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CAS Number

949-13-3

Molecular Formula

C14H22O

Molecular Weight

206.33

API Name

Phenol

Chemical Information

n-Octylphenol

Phenol, 2-octyl- has been reported in Ligusticum striatum and Ligusticum chuanxiong with data available.

CAS Number	949-13-3
PubChem CID	13700
IUPAC Name	2-octylphenol
Molecular Formula	C14H22O
Molecular Weight	206.32
XLogP	5.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	15
Formal Charge	0
Complexity	144

SMILES

CCCCCCCCC1=CC=CC=C1O

InChI

InChI=1S/C14H22O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12,15H,2-7,10H2,1H3

InChIKey

DUIOKRXOKLLURE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 949-13-3

CID: 13700

Formula: C14H22O

MW: 206.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.32
XLogP3	5.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	206.167065321
Monoisotopic Mass	206.167065321
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	144
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
AR-P31152-01	4-Octylphenol
AR-P31151-01	2-Methyl-4-tert-octylphenol
AR-M03221-01	2- (4-Octylphenyl) ethyl Acetate
AR-M03225-01	2- (4-Octylphenyl) -1-iodoethane
AR-F09407-01	2- (4-Octylphenyl) ethyl 1-Methanesulfonate
AR-M03232-01	2-Chloro-1- (4-octylphenyl) ethanone
AR-F01472-01	Ethyl 2-amino-2- (hydroxymethyl) -4- (4-octylphenyl) butanoate
AR-F01485-01	2-acetamido-4- (4-octylphenyl) butyl acetate
AR-B06674-01	2,2,2-Trifluoroethyl 2,5-Bis (2,2,2-trifluoroethoxy) Benzoate
AR-M03112	2,2,2-Trichloroethanol

Catalog	Name
AT170	Octylphenol
T201798-01	4-Octylphenol
DAG-WT1071K-01	Octylphenol [OVA]
DAG-WT1071O-01	Octylphenol [BSA]
FB170333-01	2-Bromo-4-tert-octylphenol
415508-01	2-Benzotriazolyl-4-tert-octylphenol
sc-476196	2,2'-Thiobis (4-tert-octylphenol)
OR1078440-01	2,2'-Sulfonylbis (4-tert-octylphenol)
RG-A260547-01	4-Tert-Octylphenol
sc-477945	4-Octylphenol Diethoxylate