α-Cyclohexyl-2-iodobenzenemethanol

CAT: 0127-OR1084949-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1084949-01Size:250 mg

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CAS Number

1600481-88-6

Purity

95%

Smiles

C (O) (c1c (I) cccc1) c1ccccc1

Chemical Information

alpha-Cyclohexyl-2-iodobenZenemethanol

CAS Number	1600481-88-6
PubChem CID	57801711
IUPAC Name	cyclohexyl-(2-iodophenyl)methanol
Molecular Formula	C13H17IO
Molecular Weight	316.18
XLogP	4.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	189

SMILES

C1CCC(CC1)C(C2=CC=CC=C2I)O

InChI

InChI=1S/C13H17IO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h4-5,8-10,13,15H,1-3,6-7H2

InChIKey

VPXHFJRZSKPZHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1600481-88-6

CID: 57801711

Formula: C13H17IO

MW: 316.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.18
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	316.03241
Monoisotopic Mass	316.03241
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	189
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
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PC1011450-01	3,5-Difluoro-4-iodobenzenemethanol

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