2-(2,4-dichlorothiophen-3-yl)oxyacetic acid

C6H4Cl2O3S — CID 15588123

IUPAC2-(2,4-dichlorothiophen-3-yl)oxyacetic acid
SMILESO=C(O)COc1c(Cl)csc1Cl
InChIInChI=1S/C6H4Cl2O3S/c7-3-2-12-6(8)5(3)11-1-4(9)10/h2H,1H2,(H,9,10)
InChIKeyWMFJAGHLZSFGBW-UHFFFAOYSA-N
MW227.07 g/mol
LogP2.52
Rot. Bonds3

About 2-(2,4-dichlorothiophen-3-yl)oxyacetic acid

2-(2,4-dichlorothiophen-3-yl)oxyacetic acid (PubChem CID 15588123) has the molecular formula C6H4Cl2O3S and a molecular weight of 227.07 g/mol. Its IUPAC name is 2-(2,4-dichlorothiophen-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2,4-dichlorothiophen-3-yl)oxyacetic acid
PubChem CID15588123
Molecular FormulaC6H4Cl2O3S
Molecular Weight227.07 g/mol
Exact Mass225.93
IUPAC Name2-(2,4-dichlorothiophen-3-yl)oxyacetic acid
SMILESO=C(O)COc1c(Cl)csc1Cl
InChIInChI=1S/C6H4Cl2O3S/c7-3-2-12-6(8)5(3)11-1-4(9)10/h2H,1H2,(H,9,10)
InChIKeyWMFJAGHLZSFGBW-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.07
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorothiophen-3-yl)oxyacetic acid?
The IUPAC name of 2-(2,4-dichlorothiophen-3-yl)oxyacetic acid (CID 15588123) is 2-(2,4-dichlorothiophen-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(2,4-dichlorothiophen-3-yl)oxyacetic acid?
The canonical SMILES for 2-(2,4-dichlorothiophen-3-yl)oxyacetic acid is O=C(O)COc1c(Cl)csc1Cl.
What is the InChIKey of 2-(2,4-dichlorothiophen-3-yl)oxyacetic acid?
The InChIKey is WMFJAGHLZSFGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O3S/c7-3-2-12-6(8)5(3)11-1-4(9)10/h2H,1H2,(H,9,10).
What are the key properties of 2-(2,4-dichlorothiophen-3-yl)oxyacetic acid?
2-(2,4-dichlorothiophen-3-yl)oxyacetic acid has a molecular weight of 227.07 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorothiophen-3-yl)oxyacetic acid is sourced from PubChem (CID 15588123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).