ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate

C11H11Br3O3 — CID 91619385

IUPACethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate
SMILESCCOC(=O)C(Br)c1cc(Br)cc(Br)c1OC
InChIInChI=1S/C11H11Br3O3/c1-3-17-11(15)9(14)7-4-6(12)5-8(13)10(7)16-2/h4-5,9H,3H2,1-2H3
InChIKeyARPNBAKYNGXFJW-UHFFFAOYSA-N
MW430.92 g/mol
LogP4.22
Rot. Bonds4

About ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate

ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate (PubChem CID 91619385) has the molecular formula C11H11Br3O3 and a molecular weight of 430.92 g/mol. Its IUPAC name is ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate
PubChem CID91619385
Molecular FormulaC11H11Br3O3
Molecular Weight430.92 g/mol
Exact Mass427.83
IUPAC Nameethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate
SMILESCCOC(=O)C(Br)c1cc(Br)cc(Br)c1OC
InChIInChI=1S/C11H11Br3O3/c1-3-17-11(15)9(14)7-4-6(12)5-8(13)10(7)16-2/h4-5,9H,3H2,1-2H3
InChIKeyARPNBAKYNGXFJW-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]acetate
CID 60811348
ethyl 2-(3-bromo-5-fluoro-4-methoxyphenyl)-2-oxoacetate
CID 117490190
3,5-dibromo-2-methoxybenzamide
CID 28665425
3,5-dibromo-2-ethoxybenzamide
CID 50880217
ethyl 2,3,5-tribromobenzoate
CID 112694304
ethyl (3S)-3-amino-3-(2-amino-3,5-dibromophenyl)propanoate;hydrochloride
CID 171219035
ethyl (3R)-3-amino-3-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-fluoropropanoate
CID 171243943
3,5-dibromo-2-methoxybenzoic acid
CID 643392
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117488003
ethyl 3-bromo-6-(dibromomethyl)-2-methoxybenzoate
CID 67107936
3-amino-2-(5-bromo-3-fluoro-2-methoxyphenyl)propanoic acid
CID 117471394
ethyl 3,5-dibromo-2-(difluoromethoxy)benzoate
CID 134632750

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate (CID 91619385) is ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate is CCOC(=O)C(Br)c1cc(Br)cc(Br)c1OC.
What is the InChIKey of ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate?
The InChIKey is ARPNBAKYNGXFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br3O3/c1-3-17-11(15)9(14)7-4-6(12)5-8(13)10(7)16-2/h4-5,9H,3H2,1-2H3.
What are the key properties of ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate?
ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate has a molecular weight of 430.92 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-2-(3,5-dibromo-2-methoxyphenyl)acetate is sourced from PubChem (CID 91619385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).