4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid

C11H14O3S — CID 83709599

IUPAC4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cccs2)CCC(O)CC1
InChIInChI=1S/C11H14O3S/c12-8-3-5-11(6-4-8,10(13)14)9-2-1-7-15-9/h1-2,7-8,12H,3-6H2,(H,13,14)
InChIKeyDARQFLKSXJAHJQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.01
Rot. Bonds2

About 4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid

4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid (PubChem CID 83709599) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid
PubChem CID83709599
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Name4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cccs2)CCC(O)CC1
InChIInChI=1S/C11H14O3S/c12-8-3-5-11(6-4-8,10(13)14)9-2-1-7-15-9/h1-2,7-8,12H,3-6H2,(H,13,14)
InChIKeyDARQFLKSXJAHJQ-UHFFFAOYSA-N
XLogP2.01
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-4-thiophen-2-ylcyclohexan-1-ol
CID 138514846
1-(4-hydroxycyclohexyl)-3-[(1-thiophen-2-ylcyclohexyl)methyl]urea
CID 111440825
4-hydroxy-1-(4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 115041368
2-hydroxy-1-(1-thiophen-2-ylcyclopropyl)ethanone
CID 46913895
4-hydroxy-1-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 83714976
N-[(2-hydroxycyclopentyl)methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 111471238
N,N-diphenyl-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435357
2-chloro-1-(1-thiophen-2-ylcyclopentyl)ethanone
CID 131564842
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
1-cyclohexyl-3-[(1-thiophen-2-ylcyclopropyl)methyl]urea
CID 30522444
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
2-(1-bicyclo[2.2.2]octanyl)thiophene
CID 140617889

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid (CID 83709599) is 4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid is O=C(O)C1(c2cccs2)CCC(O)CC1.
What is the InChIKey of 4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is DARQFLKSXJAHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c12-8-3-5-11(6-4-8,10(13)14)9-2-1-7-15-9/h1-2,7-8,12H,3-6H2,(H,13,14).
What are the key properties of 4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid?
4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-thiophen-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 83709599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).