1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol

C11H16O2S — CID 103451819

IUPAC1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol
SMILESOC(c1cccs1)C1(O)CCCCC1
InChIInChI=1S/C11H16O2S/c12-10(9-5-4-8-14-9)11(13)6-2-1-3-7-11/h4-5,8,10,12-13H,1-3,6-7H2
InChIKeyAAIZVIABIGNTBN-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.48
Rot. Bonds2

About 1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol

1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol (PubChem CID 103451819) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol
PubChem CID103451819
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol
SMILESOC(c1cccs1)C1(O)CCCCC1
InChIInChI=1S/C11H16O2S/c12-10(9-5-4-8-14-9)11(13)6-2-1-3-7-11/h4-5,8,10,12-13H,1-3,6-7H2
InChIKeyAAIZVIABIGNTBN-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyloxan-2-yl)-thiophen-2-ylmethanol
CID 80685813
1-(3-hydroxy-3-thiophen-2-ylprop-1-ynyl)cyclohexan-1-ol
CID 2898837
1-[(3-bromothiophen-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103451994
1-[hydroxy-(5-methylthiophen-2-yl)methyl]cyclopentan-1-ol
CID 103448343
1-[hydroxy(thiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116836256
(1-morpholin-4-ylcyclopentyl)-thiophen-2-ylmethanol
CID 79060219
[4-(aminomethyl)oxan-4-yl]-thiophen-2-ylmethanol
CID 79134716
1-thiophen-2-ylcycloheptan-1-ol
CID 61103027
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(1-methoxy-4,4-dimethylcyclohexyl)-thiophen-2-ylmethanol
CID 116755748
1-[hydroxy(naphthalen-1-yl)methyl]cycloheptan-1-ol
CID 103451980
2-[[1-(hydroxymethyl)cyclopentyl]amino]-1-thiophen-2-ylethanol
CID 62518997

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol (CID 103451819) is 1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol is OC(c1cccs1)C1(O)CCCCC1.
What is the InChIKey of 1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is AAIZVIABIGNTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c12-10(9-5-4-8-14-9)11(13)6-2-1-3-7-11/h4-5,8,10,12-13H,1-3,6-7H2.
What are the key properties of 1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol?
1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol has a molecular weight of 212.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(thiophen-2-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 103451819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).