1- (4-Iodophenyl) ethan-1-ol

CAT: 0926-DCA20729-01Size: 2 gDry Ice: NoHazardous: No

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CAT#:0926-DCA20729-01Size:2 g

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CAS Number

53207-29-7

MDL Number

MFCD00046636

Smiles

CC (C1=CC=C (C=C1) I) O

Molecular Formula

C8H9IO

Molecular Weight

248.06 g/mol

Controlled

Chemical Information

1-(4-Iodophenyl)ethanol

CAS Number	53207-29-7
PubChem CID	11230395
IUPAC Name	1-(4-iodophenyl)ethanol
Molecular Formula	C8H9IO
Molecular Weight	248.06
XLogP	2.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	97

SMILES

CC(C1=CC=C(C=C1)I)O

InChI

InChI=1S/C8H9IO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3

InChIKey

KWUDBZIJCVKUHM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 53207-29-7

CID: 11230395

Formula: C8H9IO

MW: 248.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.06
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	247.96981
Monoisotopic Mass	247.96981
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	97.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
JBD31355-01	1- (4-Fluoro-3-iodophenyl) ethan-1-ol
NKD21369-01	2-Amino-2- (2-iodophenyl) ethan-1-ol hydrochloride
MRD27052-01	2-Amino-2- (3-iodophenyl) ethan-1-ol hydrochloride
ICC65040-01	(1S) -1- (4-iodophenyl) ethan-1-amine hydrochloride
PBA73066-01	1- (2-Hydroxy-4-iodophenyl) ethan-1-one
ZXC09642-01	1- (4-Fluoro-3-iodophenyl) ethan-1-one
QBA64197-01	1- (4-Cyclopropylphenyl) ethan-1-ol
CWB96565-01	2-[5-Amino-3- (4-iodophenyl) -1H-pyrazol-1-yl]ethan-1-ol
YGC04072-01	(1R) -1- (4,4-Dimethylcyclohexyl) ethan-1-ol
KBA84795-01	2- (4-Chlorobenzenesulfonyl) ethan-1-ol

Catalog	Name
OR1047672-01	(S) -1- (4-Iodophenyl) ethan-1-ol
OR1039127-01	(1r) -1- (4-Iodophenyl) ethan-1-ol
OR1027306-01	1- (3-Iodophenyl) Ethan-1-Ol
OR82578-01	2- (2-Iodophenyl) ethan-1-ol
OR1001301-01	(R) -2-Amino-2- (4-iodophenyl) ethan-1-ol hydrochloride
OR82426-01	(S) -2-Amino-2- (4-iodophenyl) ethan-1-ol hydrochloride
PC103845-01	(R) -1- (5-Fluoro-2-iodophenyl) ethan-1-ol
PC103149-01	(S) -1- (5-Fluoro-2-iodophenyl) ethan-1-ol
OR1094856-01	1- (4-iodophenyl) propan-1-ol
OR77158-01	(R) -1- (4-iodophenyl) ethan-1-amine