5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid

C13H11ClO3S — CID 82037902

IUPAC5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid
SMILESCC(Oc1ccc(Cl)cc1C(=O)O)c1cccs1
InChIInChI=1S/C13H11ClO3S/c1-8(12-3-2-6-18-12)17-11-5-4-9(14)7-10(11)13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyUHANUZXSJUBRHS-UHFFFAOYSA-N
MW282.75 g/mol
LogP4.24
Rot. Bonds4

About 5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid

5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid (PubChem CID 82037902) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid
PubChem CID82037902
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid
SMILESCC(Oc1ccc(Cl)cc1C(=O)O)c1cccs1
InChIInChI=1S/C13H11ClO3S/c1-8(12-3-2-6-18-12)17-11-5-4-9(14)7-10(11)13(15)16/h2-8H,1H3,(H,15,16)
InChIKeyUHANUZXSJUBRHS-UHFFFAOYSA-N
XLogP4.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-thiophen-2-ylethoxy)benzoic acid
CID 82037598
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 5-chloro-2-methoxybenzoate
CID 7291398
5-chloro-2-(2-propan-2-ylphenoxy)benzoic acid
CID 63460702
2-[(5-chloro-2-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 82883193
[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 2-amino-5-chlorobenzoate
CID 17395295
2-amino-5-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 61109023
5-chloro-2-[2-(2,4-dichlorophenoxy)propanoyloxy]benzoic acid
CID 54855091
5-chloro-2-methoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354714
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 5-chloro-2-fluorobenzoate
CID 8624862
2-methoxy-5-[[methyl(1-thiophen-2-ylethyl)amino]methyl]benzoic acid
CID 65339650
5-chloro-2-(2,4-dimethylpentoxy)benzoic acid
CID 114200018
5-chloro-2-(1,3-thiazol-2-yloxy)benzoic acid
CID 61395721

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid?
The IUPAC name of 5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid (CID 82037902) is 5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid.
What is the SMILES notation for 5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid?
The canonical SMILES for 5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid is CC(Oc1ccc(Cl)cc1C(=O)O)c1cccs1.
What is the InChIKey of 5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid?
The InChIKey is UHANUZXSJUBRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c1-8(12-3-2-6-18-12)17-11-5-4-9(14)7-10(11)13(15)16/h2-8H,1H3,(H,15,16).
What are the key properties of 5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid?
5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid has a molecular weight of 282.75 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-thiophen-2-ylethoxy)benzoic acid is sourced from PubChem (CID 82037902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).