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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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).