2-chloro-5-cyclohexylthiophene-3-carboxylic acid

C11H13ClO2S — CID 114748450

IUPAC2-chloro-5-cyclohexylthiophene-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)sc1Cl
InChIInChI=1S/C11H13ClO2S/c12-10-8(11(13)14)6-9(15-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14)
InChIKeyQSGUKFFTQFVHQS-UHFFFAOYSA-N
MW244.74 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-5-cyclohexylthiophene-3-carboxylic acid

2-chloro-5-cyclohexylthiophene-3-carboxylic acid (PubChem CID 114748450) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is 2-chloro-5-cyclohexylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-5-cyclohexylthiophene-3-carboxylic acid
PubChem CID114748450
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name2-chloro-5-cyclohexylthiophene-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCCCC2)sc1Cl
InChIInChI=1S/C11H13ClO2S/c12-10-8(11(13)14)6-9(15-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14)
InChIKeyQSGUKFFTQFVHQS-UHFFFAOYSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[2-chloro-5-(thian-4-yl)thiophen-3-yl]methanone
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5-chloro-2-cyclohexyloxybenzoic acid
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4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
3-chloro-2-cyclohexylquinoline-5-carboxylic acid
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2-acetamido-5-chloro-3-cyclohexylbenzoic acid;hydrochloride
CID 121376990
2-cyclobutyl-5-cyclohexylfuran-3-carboxylic acid
CID 165441462
2-chloro-5-cyclobutylpyridine-3-carboxylic acid
CID 105465551
5-cycloheptyl-2-oxo-1H-pyridine-3-carboxylic acid
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2-cyclopentylterephthalic acid
CID 174865784
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclohexylthiophene-3-carboxylic acid?
The IUPAC name of 2-chloro-5-cyclohexylthiophene-3-carboxylic acid (CID 114748450) is 2-chloro-5-cyclohexylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-chloro-5-cyclohexylthiophene-3-carboxylic acid?
The canonical SMILES for 2-chloro-5-cyclohexylthiophene-3-carboxylic acid is O=C(O)c1cc(C2CCCCC2)sc1Cl.
What is the InChIKey of 2-chloro-5-cyclohexylthiophene-3-carboxylic acid?
The InChIKey is QSGUKFFTQFVHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c12-10-8(11(13)14)6-9(15-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14).
What are the key properties of 2-chloro-5-cyclohexylthiophene-3-carboxylic acid?
2-chloro-5-cyclohexylthiophene-3-carboxylic acid has a molecular weight of 244.74 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclohexylthiophene-3-carboxylic acid is sourced from PubChem (CID 114748450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).