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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Related Compounds

2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
CID 14496899
2-[2-[(dimethylamino)methyl]-4-thiophen-2-ylphenoxy]acetic acid
CID 122562095
2-[(2-thiophen-2-yl-1,3-benzothiazol-4-yl)oxy]acetic acid
CID 82190423
prop-2-enoic acid;2-(2,3,4-trichlorophenoxy)acetic acid
CID 161126130
2-[2,3-dichloro-4-(5-methyl-3-oxocyclohexen-1-yl)phenoxy]acetic acid
CID 70453710
2-(2,3-dichlorophenoxy)acetic acid;ethanol
CID 174851678
2-[2-(2-chlorothiophen-3-yl)-4-(trifluoromethyl)phenoxy]acetic acid
CID 11515553
2-[4-(6-bromo-1,2-benzoxazol-3-yl)-2,3-dichlorophenoxy]acetic acid
CID 20533977
2-[2,3-dichloro-4-(3-methylbut-2-enoyl)phenoxy]acetic acid
CID 70453603
2-[2-[3-(carboxymethoxy)thiophene-2-carbonyl]oxycarbonylthiophen-3-yl]oxyacetic acid
CID 87966564
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-[2-ethyl-1-oxamoyl-3-[(3-thiophen-2-ylthiophen-2-yl)methyl]indolizin-8-yl]oxyacetic acid
CID 11798508

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).