ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate

C11H12BrFO2 — CID 171033782

IUPACethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
SMILESCCOC(=O)Cc1cc(C)c(F)cc1Br
InChIInChI=1S/C11H12BrFO2/c1-3-15-11(14)5-8-4-7(2)10(13)6-9(8)12/h4,6H,3,5H2,1-2H3
InChIKeyFWIUMDZNCOZAKX-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.00
Rot. Bonds3

About ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate

ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate (PubChem CID 171033782) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
PubChem CID171033782
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Nameethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
SMILESCCOC(=O)Cc1cc(C)c(F)cc1Br
InChIInChI=1S/C11H12BrFO2/c1-3-15-11(14)5-8-4-7(2)10(13)6-9(8)12/h4,6H,3,5H2,1-2H3
InChIKeyFWIUMDZNCOZAKX-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674
ethyl 2-[4-(bromomethyl)-2-fluoro-5-methylphenyl]acetate
CID 171017342
ethyl 2-(4-bromo-2,3,6-trifluorophenyl)acetate
CID 134633247
ethyl 2-(4-bromo-2-fluoro-5-formylphenyl)acetate
CID 171010181
ethyl 2-(4-bromo-2-iodo-5-methylphenyl)acetate
CID 171563647
ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
CID 121227988
ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
CID 121228103
ethyl 2-(2-bromo-4-iodophenyl)acetate
CID 131871493
ethyl 2-[5-amino-2-bromo-4-(trifluoromethyl)phenyl]acetate
CID 134633507
ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
CID 121228096
ethyl 2-(5-amino-3-bromo-2-fluorophenyl)acetate
CID 171020094

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate?
The IUPAC name of ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate (CID 171033782) is ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate is CCOC(=O)Cc1cc(C)c(F)cc1Br.
What is the InChIKey of ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate?
The InChIKey is FWIUMDZNCOZAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-3-15-11(14)5-8-4-7(2)10(13)6-9(8)12/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate?
ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate has a molecular weight of 275.12 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate is sourced from PubChem (CID 171033782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).