carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate

C9H5Cl3O4 — CID 16657721

IUPACcarbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(Cl)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H5Cl3O4/c10-5-1-2-7(6(11)3-5)15-4-8(13)16-9(12)14/h1-3H,4H2
InChIKeyLXTCFZBVVQXLNW-UHFFFAOYSA-N
MW283.49 g/mol
LogP3.27
Rot. Bonds3

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

carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate (PubChem CID 16657721) has the molecular formula C9H5Cl3O4 and a molecular weight of 283.49 g/mol. Its IUPAC name is carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Namecarbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
PubChem CID16657721
Molecular FormulaC9H5Cl3O4
Molecular Weight283.49 g/mol
Exact Mass281.93
IUPAC Namecarbonochloridoyl 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(Cl)OC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C9H5Cl3O4/c10-5-1-2-7(6(11)3-5)15-4-8(13)16-9(12)14/h1-3H,4H2
InChIKeyLXTCFZBVVQXLNW-UHFFFAOYSA-N
XLogP3.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl) 2-(2,4-dichlorophenoxy)ethaneperoxoate
CID 57171249
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
ethenyl 2-(2,4-dichlorophenoxy)acetate
CID 11806970
sodium 2-(2,4-dichlorophenoxy)acetic acid
CID 91996937
tris(2-(2,4-dichlorophenoxy)acetic acid);samarium
CID 164580360
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
disodium bis(2-(2,4-dichlorophenoxy)acetate)
CID 66727836
calcium;2-(2,4-dichlorophenoxy)acetic acid;hydride
CID 173483555
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
deuterio 2-(2,4-dichlorophenoxy)acetate
CID 138395985
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
butyl 2-(2,4-dichlorophenoxy)acetate
CID 7206

Frequently Asked Questions

What is the IUPAC name of carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate (CID 16657721) is carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate is O=C(Cl)OC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is LXTCFZBVVQXLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3O4/c10-5-1-2-7(6(11)3-5)15-4-8(13)16-9(12)14/h1-3H,4H2.
What are the key properties of carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate?
carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 283.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridoyl 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 16657721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).