ethyl 2-(4-bromo-2-formylphenoxy)acetate

C11H11BrO4 — CID 880259

IUPACethyl 2-(4-bromo-2-formylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(Br)cc1C=O
InChIInChI=1S/C11H11BrO4/c1-2-15-11(14)7-16-10-4-3-9(12)5-8(10)6-13/h3-6H,2,7H2,1H3
InChIKeyQHGFILIGTMBUGQ-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.20
Rot. Bonds5

About ethyl 2-(4-bromo-2-formylphenoxy)acetate

ethyl 2-(4-bromo-2-formylphenoxy)acetate (PubChem CID 880259) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2-formylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2-formylphenoxy)acetate
PubChem CID880259
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Nameethyl 2-(4-bromo-2-formylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(Br)cc1C=O
InChIInChI=1S/C11H11BrO4/c1-2-15-11(14)7-16-10-4-3-9(12)5-8(10)6-13/h3-6H,2,7H2,1H3
InChIKeyQHGFILIGTMBUGQ-UHFFFAOYSA-N
XLogP2.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-bromo-2-formylphenoxy)propanoate
CID 91656144
CID 88937368
CID 88937368
ethyl 2-[4-bromo-2-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 168590773
ethyl 2-(4-bromo-2-formyl-6-methylphenoxy)acetate
CID 112620712
2-(4-bromo-2-formylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 28834277
ethyl 2-[4-bromo-2-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 126245063
ethyl 2-[4-bromo-2-[(E)-(3-ethyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 2189982
ethane;ethyl 2-[4-bromo-2-(trifluoromethyl)phenoxy]acetate
CID 154670957
ethyl 2-[4-bromo-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetate
CID 2859512
ethyl 2-(4-bromo-2-formylphenoxy)pentanoate
CID 83041354
2-(4-bromo-2-formylphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27874519
2-(4-bromo-2-formylphenoxy)-N-prop-2-ynylacetamide
CID 9006975

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2-formylphenoxy)acetate?
The IUPAC name of ethyl 2-(4-bromo-2-formylphenoxy)acetate (CID 880259) is ethyl 2-(4-bromo-2-formylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(4-bromo-2-formylphenoxy)acetate?
The canonical SMILES for ethyl 2-(4-bromo-2-formylphenoxy)acetate is CCOC(=O)COc1ccc(Br)cc1C=O.
What is the InChIKey of ethyl 2-(4-bromo-2-formylphenoxy)acetate?
The InChIKey is QHGFILIGTMBUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c1-2-15-11(14)7-16-10-4-3-9(12)5-8(10)6-13/h3-6H,2,7H2,1H3.
What are the key properties of ethyl 2-(4-bromo-2-formylphenoxy)acetate?
ethyl 2-(4-bromo-2-formylphenoxy)acetate has a molecular weight of 287.11 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2-formylphenoxy)acetate is sourced from PubChem (CID 880259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).