[4-(4-iodocyclohexyl)cyclohexyl]methanol

C13H23IO — CID 126583903

IUPAC[4-(4-iodocyclohexyl)cyclohexyl]methanol
SMILESOCC1CCC(C2CCC(I)CC2)CC1
InChIInChI=1S/C13H23IO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h10-13,15H,1-9H2
InChIKeyIPKCTGFVIDOROD-UHFFFAOYSA-N
MW322.23 g/mol
LogP3.78
Rot. Bonds2

About [4-(4-iodocyclohexyl)cyclohexyl]methanol

[4-(4-iodocyclohexyl)cyclohexyl]methanol (PubChem CID 126583903) has the molecular formula C13H23IO and a molecular weight of 322.23 g/mol. Its IUPAC name is [4-(4-iodocyclohexyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(4-iodocyclohexyl)cyclohexyl]methanol
PubChem CID126583903
Molecular FormulaC13H23IO
Molecular Weight322.23 g/mol
Exact Mass322.08
IUPAC Name[4-(4-iodocyclohexyl)cyclohexyl]methanol
SMILESOCC1CCC(C2CCC(I)CC2)CC1
InChIInChI=1S/C13H23IO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h10-13,15H,1-9H2
InChIKeyIPKCTGFVIDOROD-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol
CID 130624155
4-cyclohexylcyclohexan-1-ol;(4-cyclohexylcyclohexyl)methanol
CID 145126391
[4-(3-methyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulen-7-yl)cyclohexyl]methanol
CID 134271074
[4-(4-prop-1-enylcyclohexyl)cyclohexyl]methanol
CID 54475864
1-but-3-enyl-4-(4-iodocyclohexyl)cyclohexane
CID 89089631
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
1-cyclohexyl-4-iodocyclohexane
CID 89107988
[4-(hydroxymethyl)cyclohexyl]methanol;oxirane
CID 87065906
[2-(hydroxymethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methanol
CID 89195947
cyclopropylmethanol;formic acid
CID 174831416
buta-1,3-diene;[4-(hydroxymethyl)cyclohexyl]methanol
CID 87532739
(4-bromocyclohexyl)methanol
CID 20705723

Frequently Asked Questions

What is the IUPAC name of [4-(4-iodocyclohexyl)cyclohexyl]methanol?
The IUPAC name of [4-(4-iodocyclohexyl)cyclohexyl]methanol (CID 126583903) is [4-(4-iodocyclohexyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(4-iodocyclohexyl)cyclohexyl]methanol?
The canonical SMILES for [4-(4-iodocyclohexyl)cyclohexyl]methanol is OCC1CCC(C2CCC(I)CC2)CC1.
What is the InChIKey of [4-(4-iodocyclohexyl)cyclohexyl]methanol?
The InChIKey is IPKCTGFVIDOROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23IO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h10-13,15H,1-9H2.
What are the key properties of [4-(4-iodocyclohexyl)cyclohexyl]methanol?
[4-(4-iodocyclohexyl)cyclohexyl]methanol has a molecular weight of 322.23 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-iodocyclohexyl)cyclohexyl]methanol is sourced from PubChem (CID 126583903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).