2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid

C12H16O3S — CID 107432612

IUPAC2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid
SMILESCCC1CCCC1(O)c1sccc1C(=O)O
InChIInChI=1S/C12H16O3S/c1-2-8-4-3-6-12(8,15)10-9(11(13)14)5-7-16-10/h5,7-8,15H,2-4,6H2,1H3,(H,13,14)
InChIKeyZISVBKLYWYAAPC-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.84
Rot. Bonds3

About 2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid

2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid (PubChem CID 107432612) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid
PubChem CID107432612
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid
SMILESCCC1CCCC1(O)c1sccc1C(=O)O
InChIInChI=1S/C12H16O3S/c1-2-8-4-3-6-12(8,15)10-9(11(13)14)5-7-16-10/h5,7-8,15H,2-4,6H2,1H3,(H,13,14)
InChIKeyZISVBKLYWYAAPC-UHFFFAOYSA-N
XLogP2.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclohexyl-1-hydroxycyclohexyl)thiophene-3-carboxylic acid
CID 107431950
2-(1-hydroxy-2,4,4-trimethylcyclohexyl)thiophene-3-carboxylic acid
CID 107432456
2-ethyl-1-(3-ethylthiophen-2-yl)cyclopropan-1-ol
CID 79333969
2-(3-hydroxy-1-methylpiperidin-3-yl)thiophene-3-carboxylic acid
CID 107432478
1-(1-benzothiophen-7-yl)-2-ethylcyclohexan-1-ol
CID 81142236
2-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)thiophene-3-carboxylic acid
CID 107432277
2-(1-hydroxy-4-oxocyclohexyl)thiophene-3-carboxylic acid
CID 107432346
2-propylthiophene-3-carboxylic acid
CID 131595068
2-ethyl-1-(1,2-thiazol-4-yl)cyclopentan-1-ol
CID 164648660
2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
CID 107431968
3-ethyl-1-(3-methylthiophen-2-yl)cyclohexan-1-ol
CID 79991182
2-[(2-methylcyclopentanecarbonyl)amino]thiophene-3-carboxylic acid
CID 107175082

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid (CID 107432612) is 2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid is CCC1CCCC1(O)c1sccc1C(=O)O.
What is the InChIKey of 2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid?
The InChIKey is ZISVBKLYWYAAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-2-8-4-3-6-12(8,15)10-9(11(13)14)5-7-16-10/h5,7-8,15H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid?
2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid has a molecular weight of 240.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-hydroxycyclopentyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 107432612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).