2,5-Dimethyl-4-iodophenol

CAT: 0127-OR5710-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR5710-01Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

114971-53-8

Synonyms

2-Hydroxy-5-iodo-p-xylene

MDL Number

MFCD00219922

Purity

97%

Smiles

Cc1cc(I)c(C)cc1O

Storage Conditions

Store at 2-8°C

Chemical Information

4-Iodo-2,5-dimethylphenol

CAS Number	114971-53-8
PubChem CID	2736261
IUPAC Name	4-iodo-2,5-dimethylphenol
Molecular Formula	C8H9IO
Molecular Weight	248.06
XLogP	2.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

CC1=CC(=C(C=C1I)C)O

InChI

InChI=1S/C8H9IO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3

InChIKey

RFAXNKKOQUYDKE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 114971-53-8

CID: 2736261

Formula: C8H9IO

MW: 248.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.06
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	247.96981
Monoisotopic Mass	247.96981
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
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