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

C9H7Br2O3- — CID 6921474

IUPAC2-(2,4-dibromo-6-methylphenoxy)acetate
SMILESCc1cc(Br)cc(Br)c1OCC(=O)[O-]
InChIInChI=1S/C9H8Br2O3/c1-5-2-6(10)3-7(11)9(5)14-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)/p-1
InChIKeyONPBJJDXODEHDD-UHFFFAOYSA-M
MW322.96 g/mol
LogP1.65
Rot. Bonds3

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

2-(2,4-dibromo-6-methylphenoxy)acetate (PubChem CID 6921474) has the molecular formula C9H7Br2O3- and a molecular weight of 322.96 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)acetate.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)acetate
PubChem CID6921474
Molecular FormulaC9H7Br2O3-
Molecular Weight322.96 g/mol
Exact Mass320.88
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)acetate
SMILESCc1cc(Br)cc(Br)c1OCC(=O)[O-]
InChIInChI=1S/C9H8Br2O3/c1-5-2-6(10)3-7(11)9(5)14-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)/p-1
InChIKeyONPBJJDXODEHDD-UHFFFAOYSA-M
XLogP1.65
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.96
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dibromo-3-methyl-2-(2-methylprop-2-enoxy)benzene
CID 15454074
N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3362713
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-benzyl-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4504132
1-N',4-N'-bis[2-(2,4-dibromo-6-methylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927218
N-(2-bromophenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3249849
N-(4-amino-2,6-dimethylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 50880984
2-(2,4-dibromo-6-methylphenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 4503873
N'-[2-(2,4-dibromo-6-methylphenoxy)acetyl]tetradecanehydrazide
CID 54792259
N-(azepane-1-carbothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3362720
4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]benzoic acid
CID 28676661
(3-chloro-4-methylphenyl) 2-(2,4-dibromo-6-methylphenoxy)acetate
CID 23011020

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)acetate?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)acetate (CID 6921474) is 2-(2,4-dibromo-6-methylphenoxy)acetate.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)acetate?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)acetate is Cc1cc(Br)cc(Br)c1OCC(=O)[O-].
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)acetate?
The InChIKey is ONPBJJDXODEHDD-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8Br2O3/c1-5-2-6(10)3-7(11)9(5)14-4-8(12)13/h2-3H,4H2,1H3,(H,12,13)/p-1.
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)acetate?
2-(2,4-dibromo-6-methylphenoxy)acetate has a molecular weight of 322.96 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)acetate is sourced from PubChem (CID 6921474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).