1-thiophen-2-ylcyclohexane-1-carboxylic acid

C11H14O2S — CID 820724

IUPAC1-thiophen-2-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C11H14O2S/c12-10(13)11(6-2-1-3-7-11)9-5-4-8-14-9/h4-5,8H,1-3,6-7H2,(H,12,13)
InChIKeyTVJXMYFENIHEOZ-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.03
Rot. Bonds2

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

1-thiophen-2-ylcyclohexane-1-carboxylic acid (PubChem CID 820724) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-thiophen-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-thiophen-2-ylcyclohexane-1-carboxylic acid
PubChem CID820724
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name1-thiophen-2-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cccs2)CCCCC1
InChIInChI=1S/C11H14O2S/c12-10(13)11(6-2-1-3-7-11)9-5-4-8-14-9/h4-5,8H,1-3,6-7H2,(H,12,13)
InChIKeyTVJXMYFENIHEOZ-UHFFFAOYSA-N
XLogP3.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-thiophen-2-ylcyclohexane-1-carboxylic acid (CID 820724) is 1-thiophen-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-thiophen-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-thiophen-2-ylcyclohexane-1-carboxylic acid is O=C(O)C1(c2cccs2)CCCCC1.
What is the InChIKey of 1-thiophen-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is TVJXMYFENIHEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c12-10(13)11(6-2-1-3-7-11)9-5-4-8-14-9/h4-5,8H,1-3,6-7H2,(H,12,13).
What are the key properties of 1-thiophen-2-ylcyclohexane-1-carboxylic acid?
1-thiophen-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 210.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 820724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).