(2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid

C12H16O2S — CID 92854885

IUPAC(2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid
SMILESO=C(O)[C@@H](c1ccsc1)C1CCCCC1
InChIInChI=1S/C12H16O2S/c13-12(14)11(10-6-7-15-8-10)9-4-2-1-3-5-9/h6-9,11H,1-5H2,(H,13,14)/t11-/m1/s1
InChIKeyOEEPFYFKBOUIEZ-LLVKDONJSA-N
MW224.32 g/mol
LogP3.50
Rot. Bonds3

About (2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid

(2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid (PubChem CID 92854885) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid
PubChem CID92854885
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name(2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid
SMILESO=C(O)[C@@H](c1ccsc1)C1CCCCC1
InChIInChI=1S/C12H16O2S/c13-12(14)11(10-6-7-15-8-10)9-4-2-1-3-5-9/h6-9,11H,1-5H2,(H,13,14)/t11-/m1/s1
InChIKeyOEEPFYFKBOUIEZ-LLVKDONJSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid?
The IUPAC name of (2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid (CID 92854885) is (2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid.
What is the SMILES notation for (2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid?
The canonical SMILES for (2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid is O=C(O)[C@@H](c1ccsc1)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid?
The InChIKey is OEEPFYFKBOUIEZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O2S/c13-12(14)11(10-6-7-15-8-10)9-4-2-1-3-5-9/h6-9,11H,1-5H2,(H,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid?
(2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid has a molecular weight of 224.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 92854885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).