2-(2-thiophen-2-ylcyclohexyl)propanoic acid

C13H18O2S — CID 82243540

IUPAC2-(2-thiophen-2-ylcyclohexyl)propanoic acid
SMILESCC(C(=O)O)C1CCCCC1c1cccs1
InChIInChI=1S/C13H18O2S/c1-9(13(14)15)10-5-2-3-6-11(10)12-7-4-8-16-12/h4,7-11H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyIPSHPGLNYZOJFU-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.74
Rot. Bonds3

About 2-(2-thiophen-2-ylcyclohexyl)propanoic acid

2-(2-thiophen-2-ylcyclohexyl)propanoic acid (PubChem CID 82243540) has the molecular formula C13H18O2S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name2-(2-thiophen-2-ylcyclohexyl)propanoic acid
PubChem CID82243540
Molecular FormulaC13H18O2S
Molecular Weight238.35 g/mol
Exact Mass238.10
IUPAC Name2-(2-thiophen-2-ylcyclohexyl)propanoic acid
SMILESCC(C(=O)O)C1CCCCC1c1cccs1
InChIInChI=1S/C13H18O2S/c1-9(13(14)15)10-5-2-3-6-11(10)12-7-4-8-16-12/h4,7-11H,2-3,5-6H2,1H3,(H,14,15)
InChIKeyIPSHPGLNYZOJFU-UHFFFAOYSA-N
XLogP3.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-2-ylcyclohexane-1-carboxylic acid
CID 79014995
2-(2-thiophen-2-ylcyclohexyl)propan-1-amine
CID 82242346
2-(2-thiophen-2-ylcycloheptyl)propan-1-amine
CID 82243482
2-thiophen-2-ylcyclopentane-1-carboxylic acid
CID 81008433
1-(2-thiophen-2-ylcyclopropyl)ethanol
CID 53275688
N-cyclopropyl-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681267
2-(2-hydroxycycloheptyl)propanoic acid
CID 79418512
2-[1-(thiophene-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116680820
N-propyl-2-thiophen-2-ylcyclohexan-1-amine
CID 62603861
(3S,4R)-4-thiophen-2-ylpyrrolidine-3-carboxylic acid
CID 96621498
3-(2-oxo-4-thiophen-2-ylimidazolidin-1-yl)butanoic acid
CID 116979658
2-methyl-3-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanylpropanoic acid
CID 64914478

Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylcyclohexyl)propanoic acid?
The IUPAC name of 2-(2-thiophen-2-ylcyclohexyl)propanoic acid (CID 82243540) is 2-(2-thiophen-2-ylcyclohexyl)propanoic acid.
What is the SMILES notation for 2-(2-thiophen-2-ylcyclohexyl)propanoic acid?
The canonical SMILES for 2-(2-thiophen-2-ylcyclohexyl)propanoic acid is CC(C(=O)O)C1CCCCC1c1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylcyclohexyl)propanoic acid?
The InChIKey is IPSHPGLNYZOJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2S/c1-9(13(14)15)10-5-2-3-6-11(10)12-7-4-8-16-12/h4,7-11H,2-3,5-6H2,1H3,(H,14,15).
What are the key properties of 2-(2-thiophen-2-ylcyclohexyl)propanoic acid?
2-(2-thiophen-2-ylcyclohexyl)propanoic acid has a molecular weight of 238.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylcyclohexyl)propanoic acid is sourced from PubChem (CID 82243540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).