4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid

C13H18O3S — CID 66438004

IUPAC4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid
SMILESCCC1CCC(Oc2csc(C(=O)O)c2)CC1
InChIInChI=1S/C13H18O3S/c1-2-9-3-5-10(6-4-9)16-11-7-12(13(14)15)17-8-11/h7-10H,2-6H2,1H3,(H,14,15)
InChIKeyINNMMTWHCWTNGF-UHFFFAOYSA-N
MW254.35 g/mol
LogP3.79
Rot. Bonds4

About 4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid

4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid (PubChem CID 66438004) has the molecular formula C13H18O3S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid
PubChem CID66438004
Molecular FormulaC13H18O3S
Molecular Weight254.35 g/mol
Exact Mass254.10
IUPAC Name4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid
SMILESCCC1CCC(Oc2csc(C(=O)O)c2)CC1
InChIInChI=1S/C13H18O3S/c1-2-9-3-5-10(6-4-9)16-11-7-12(13(14)15)17-8-11/h7-10H,2-6H2,1H3,(H,14,15)
InChIKeyINNMMTWHCWTNGF-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylcyclohexyl)oxythiophene-2-carboxylic acid
CID 66437133
4-amino-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 106954895
4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid
CID 79904640
4-[(5-methyloxolan-2-yl)methoxy]thiophene-2-carboxylic acid
CID 103132685
4-spiro[3.5]nonan-3-yloxythiophene-2-carboxylic acid
CID 102950982
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid
CID 79904569
4-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436690
[4-(4-ethylcyclohexyl)oxy-2-fluorophenyl]boronic acid
CID 65203571
4-(2-propoxyethoxy)thiophene-2-carboxylic acid
CID 106449466
4-[2-(ethylamino)-2-oxoethoxy]thiophene-2-carboxylic acid
CID 66436441
4-(3-oxobutanoyloxy)thiophene-2-carboxylic acid
CID 174366885
ethane;1-(4-ethylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 176986547

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid (CID 66438004) is 4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid is CCC1CCC(Oc2csc(C(=O)O)c2)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid?
The InChIKey is INNMMTWHCWTNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3S/c1-2-9-3-5-10(6-4-9)16-11-7-12(13(14)15)17-8-11/h7-10H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid?
4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 66438004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).