(3-Ethyl-5-iodophenyl) methanol

CAT: 0127-OR1089251-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1089251-01Size:250 mg

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CAS Number

2734776-51-1

MDL Number

MFCD34530218

Purity

97%

Smiles

C1 (cc (cc (c1) CO) I) CC

Chemical Information

(3-Ethyl-5-iodophenyl)methanol

CAS Number	2734776-51-1
PubChem CID	118268844
IUPAC Name	(3-ethyl-5-iodophenyl)methanol
Molecular Formula	C9H11IO
Molecular Weight	262.09
XLogP	2.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	116

SMILES

CCC1=CC(=CC(=C1)I)CO

InChI

InChI=1S/C9H11IO/c1-2-7-3-8(6-11)5-9(10)4-7/h3-5,11H,2,6H2,1H3

InChIKey

ROIZTMWOILNQNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2734776-51-1

CID: 118268844

Formula: C9H11IO

MW: 262.09

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.09
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	261.98546
Monoisotopic Mass	261.98546
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	116
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
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OR1084792-01	Cyclohexyl (3-iodophenyl) methanol
OR1094118-01	(3-iodophenyl) (phenyl) methanol
OR1036134-01	(5-Chloro-2-iodophenyl) methanol
OR91827-01	(2-Amino-5-iodophenyl) methanol
PC1020524-01	(3-chlorophenyl) (2-fluoro-5-iodophenyl) methanol
PC1014685-01	(2-Ethoxy-3-fluoro-5-iodophenyl) methanol