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

C10H10BrFO3 — CID 59377674

IUPACethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(O)c(F)cc1Br
InChIInChI=1S/C10H10BrFO3/c1-2-15-10(14)4-6-3-9(13)8(12)5-7(6)11/h3,5,13H,2,4H2,1H3
InChIKeyKJIAIFOMNBBATM-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.40
Rot. Bonds3

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

ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate (PubChem CID 59377674) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
PubChem CID59377674
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Nameethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(O)c(F)cc1Br
InChIInChI=1S/C10H10BrFO3/c1-2-15-10(14)4-6-3-9(13)8(12)5-7(6)11/h3,5,13H,2,4H2,1H3
InChIKeyKJIAIFOMNBBATM-UHFFFAOYSA-N
XLogP2.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-bromo-4-fluoro-5-methylphenyl)acetate
CID 171033782
ethyl 2-bromo-4-fluoro-5-hydroxybenzoate
CID 131016117
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-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
CID 121228103
ethyl 2-(2,5-dibromo-3,4-difluorophenyl)acetate
CID 121227988
ethyl 2-[5-amino-2-bromo-4-(trifluoromethyl)phenyl]acetate
CID 134633507
5-(aminomethyl)-4-bromo-2-fluorophenol
CID 118991902
ethyl 2-(5-amino-3-bromo-2-fluorophenyl)acetate
CID 171020094
ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
CID 121228096
ethyl 2-(4-amino-2-bromophenyl)acetate
CID 170997064

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate (CID 59377674) is ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate is CCOC(=O)Cc1cc(O)c(F)cc1Br.
What is the InChIKey of ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate?
The InChIKey is KJIAIFOMNBBATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-2-15-10(14)4-6-3-9(13)8(12)5-7(6)11/h3,5,13H,2,4H2,1H3.
What are the key properties of ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate?
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate has a molecular weight of 277.09 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate is sourced from PubChem (CID 59377674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).