2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid

C12H8Cl2O3S — CID 70446965

IUPAC2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(-c2cccs2)c(Cl)c1Cl
InChIInChI=1S/C12H8Cl2O3S/c13-11-7(9-2-1-5-18-9)3-4-8(12(11)14)17-6-10(15)16/h1-5H,6H2,(H,15,16)
InChIKeyGPOMSMADYCBSEV-UHFFFAOYSA-N
MW303.17 g/mol
LogP4.19
Rot. Bonds4

About 2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid

2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid (PubChem CID 70446965) has the molecular formula C12H8Cl2O3S and a molecular weight of 303.17 g/mol. Its IUPAC name is 2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid
PubChem CID70446965
Molecular FormulaC12H8Cl2O3S
Molecular Weight303.17 g/mol
Exact Mass301.96
IUPAC Name2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(-c2cccs2)c(Cl)c1Cl
InChIInChI=1S/C12H8Cl2O3S/c13-11-7(9-2-1-5-18-9)3-4-8(12(11)14)17-6-10(15)16/h1-5H,6H2,(H,15,16)
InChIKeyGPOMSMADYCBSEV-UHFFFAOYSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid?
The IUPAC name of 2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid (CID 70446965) is 2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid.
What is the SMILES notation for 2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid?
The canonical SMILES for 2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid is O=C(O)COc1ccc(-c2cccs2)c(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid?
The InChIKey is GPOMSMADYCBSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O3S/c13-11-7(9-2-1-5-18-9)3-4-8(12(11)14)17-6-10(15)16/h1-5H,6H2,(H,15,16).
What are the key properties of 2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid?
2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid has a molecular weight of 303.17 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-4-thiophen-2-ylphenoxy)acetic acid is sourced from PubChem (CID 70446965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).