deuterio 2-(2,4-dichlorophenoxy)acetate

C8H6Cl2O3 — CID 138395985

IUPACdeuterio 2-(2,4-dichlorophenoxy)acetate
SMILES[2H]OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/i/hD
InChIKeyOVSKIKFHRZPJSS-DYCDLGHISA-N
MW222.05 g/mol
LogP2.46
Rot. Bonds3

About deuterio 2-(2,4-dichlorophenoxy)acetate

deuterio 2-(2,4-dichlorophenoxy)acetate (PubChem CID 138395985) has the molecular formula C8H6Cl2O3 and a molecular weight of 222.05 g/mol. Its IUPAC name is deuterio 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Namedeuterio 2-(2,4-dichlorophenoxy)acetate
PubChem CID138395985
Molecular FormulaC8H6Cl2O3
Molecular Weight222.05 g/mol
Exact Mass220.98
IUPAC Namedeuterio 2-(2,4-dichlorophenoxy)acetate
SMILES[2H]OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/i/hD
InChIKeyOVSKIKFHRZPJSS-DYCDLGHISA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.05
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
sodium;2-(2,4-dichlorophenoxy)acetic acid;hydride;N-methylmethanamine
CID 173432017
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
CID 16657721
2-[carboxymethyl-[2-(2,4-dichlorophenoxy)acetyl]amino]acetic acid
CID 63645389
4-(2,4-dichlorophenoxy)butanoic acid;2-(2,4,5-trichlorophenoxy)acetic acid
CID 70569666
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]oxyacetic acid
CID 60668024

Frequently Asked Questions

What is the IUPAC name of deuterio 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of deuterio 2-(2,4-dichlorophenoxy)acetate (CID 138395985) is deuterio 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for deuterio 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for deuterio 2-(2,4-dichlorophenoxy)acetate is [2H]OC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of deuterio 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is OVSKIKFHRZPJSS-DYCDLGHISA-N. The full InChI is InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)/i/hD.
What are the key properties of deuterio 2-(2,4-dichlorophenoxy)acetate?
deuterio 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 222.05 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 138395985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).