methyl 2-(2,4,5-trichlorophenoxy)acetate

C9H7Cl3O3 — CID 1482

IUPACmethyl 2-(2,4,5-trichlorophenoxy)acetate
SMILESCOC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3
InChIKeyJUCNGUOYQGHBJC-UHFFFAOYSA-N
MW269.51 g/mol
LogP3.20
Rot. Bonds3

About methyl 2-(2,4,5-trichlorophenoxy)acetate

methyl 2-(2,4,5-trichlorophenoxy)acetate (PubChem CID 1482) has the molecular formula C9H7Cl3O3 and a molecular weight of 269.51 g/mol. Its IUPAC name is methyl 2-(2,4,5-trichlorophenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4,5-trichlorophenoxy)acetate
PubChem CID1482
Molecular FormulaC9H7Cl3O3
Molecular Weight269.51 g/mol
Exact Mass267.95
IUPAC Namemethyl 2-(2,4,5-trichlorophenoxy)acetate
SMILESCOC(=O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3
InChIKeyJUCNGUOYQGHBJC-UHFFFAOYSA-N
XLogP3.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.51
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4,5-trichlorophenoxy)acetate?
The IUPAC name of methyl 2-(2,4,5-trichlorophenoxy)acetate (CID 1482) is methyl 2-(2,4,5-trichlorophenoxy)acetate.
What is the SMILES notation for methyl 2-(2,4,5-trichlorophenoxy)acetate?
The canonical SMILES for methyl 2-(2,4,5-trichlorophenoxy)acetate is COC(=O)COc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of methyl 2-(2,4,5-trichlorophenoxy)acetate?
The InChIKey is JUCNGUOYQGHBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl3O3/c1-14-9(13)4-15-8-3-6(11)5(10)2-7(8)12/h2-3H,4H2,1H3.
What are the key properties of methyl 2-(2,4,5-trichlorophenoxy)acetate?
methyl 2-(2,4,5-trichlorophenoxy)acetate has a molecular weight of 269.51 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4,5-trichlorophenoxy)acetate is sourced from PubChem (CID 1482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).