methyl 2-(2,4-dibromo-6-methylphenoxy)acetate

C10H10Br2O3 — CID 686944

IUPACmethyl 2-(2,4-dibromo-6-methylphenoxy)acetate
SMILESCOC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C10H10Br2O3/c1-6-3-7(11)4-8(12)10(6)15-5-9(13)14-2/h3-4H,5H2,1-2H3
InChIKeyAVANSUBYLIUKLB-UHFFFAOYSA-N
MW338.00 g/mol
LogP3.07
Rot. Bonds3

About methyl 2-(2,4-dibromo-6-methylphenoxy)acetate

methyl 2-(2,4-dibromo-6-methylphenoxy)acetate (PubChem CID 686944) has the molecular formula C10H10Br2O3 and a molecular weight of 338.00 g/mol. Its IUPAC name is methyl 2-(2,4-dibromo-6-methylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dibromo-6-methylphenoxy)acetate
PubChem CID686944
Molecular FormulaC10H10Br2O3
Molecular Weight338.00 g/mol
Exact Mass335.90
IUPAC Namemethyl 2-(2,4-dibromo-6-methylphenoxy)acetate
SMILESCOC(=O)COc1c(C)cc(Br)cc1Br
InChIInChI=1S/C10H10Br2O3/c1-6-3-7(11)4-8(12)10(6)15-5-9(13)14-2/h3-4H,5H2,1-2H3
InChIKeyAVANSUBYLIUKLB-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dibromo-6-methylphenoxy)acetate?
The IUPAC name of methyl 2-(2,4-dibromo-6-methylphenoxy)acetate (CID 686944) is methyl 2-(2,4-dibromo-6-methylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2,4-dibromo-6-methylphenoxy)acetate?
The canonical SMILES for methyl 2-(2,4-dibromo-6-methylphenoxy)acetate is COC(=O)COc1c(C)cc(Br)cc1Br.
What is the InChIKey of methyl 2-(2,4-dibromo-6-methylphenoxy)acetate?
The InChIKey is AVANSUBYLIUKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O3/c1-6-3-7(11)4-8(12)10(6)15-5-9(13)14-2/h3-4H,5H2,1-2H3.
What are the key properties of methyl 2-(2,4-dibromo-6-methylphenoxy)acetate?
methyl 2-(2,4-dibromo-6-methylphenoxy)acetate has a molecular weight of 338.00 g/mol, XLogP of 3.07, 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-dibromo-6-methylphenoxy)acetate is sourced from PubChem (CID 686944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).