ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate

C10H10BrFO3 — CID 134631915

IUPACethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1c(O)ccc(F)c1Br
InChIInChI=1S/C10H10BrFO3/c1-2-15-9(14)5-6-8(13)4-3-7(12)10(6)11/h3-4,13H,2,5H2,1H3
InChIKeyIHKCBAPRPKDXDY-UHFFFAOYSA-N
MW277.09 g/mol
LogP2.40
Rot. Bonds3

About ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate

ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate (PubChem CID 134631915) has the molecular formula C10H10BrFO3 and a molecular weight of 277.09 g/mol. Its IUPAC name is ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate
PubChem CID134631915
Molecular FormulaC10H10BrFO3
Molecular Weight277.09 g/mol
Exact Mass275.98
IUPAC Nameethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1c(O)ccc(F)c1Br
InChIInChI=1S/C10H10BrFO3/c1-2-15-9(14)5-6-8(13)4-3-7(12)10(6)11/h3-4,13H,2,5H2,1H3
InChIKeyIHKCBAPRPKDXDY-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 3-(2-bromo-3-fluoro-6-hydroxyphenyl)propanoate
CID 155580080
ethyl 2-[2-bromo-6-(bromomethyl)-3-fluorophenyl]acetate
CID 171004405
ethyl 2-(2-bromo-3-fluoro-6-nitrophenyl)acetate
CID 134631916
ethyl 2-(2-amino-6-bromo-3-fluorophenyl)acetate
CID 171019947
ethyl 2-(2-cyano-6-fluoro-3-hydroxyphenyl)acetate
CID 134653675
ethyl 2-(2-bromo-3-cyano-6-fluorophenyl)acetate
CID 134652489
ethyl 2-bromo-6-fluoro-3-hydroxybenzoate
CID 130800843
ethyl 2-(3-bromo-4-fluoro-2-nitrophenyl)acetate
CID 134632868
ethyl 2-(4-bromo-2,3,6-trifluorophenyl)acetate
CID 134633247
ethyl 2-(2,4-dibromo-6-fluorophenyl)acetate
CID 121228096
ethyl 2-(2-bromo-4-fluoro-5-hydroxyphenyl)acetate
CID 59377674
ethyl 2-[6-hydroxy-2,3-bis(trifluoromethyl)phenyl]acetate
CID 134639188

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate (CID 134631915) is ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate is CCOC(=O)Cc1c(O)ccc(F)c1Br.
What is the InChIKey of ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate?
The InChIKey is IHKCBAPRPKDXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO3/c1-2-15-9(14)5-6-8(13)4-3-7(12)10(6)11/h3-4,13H,2,5H2,1H3.
What are the key properties of ethyl 2-(2-bromo-3-fluoro-6-hydroxyphenyl)acetate?
ethyl 2-(2-bromo-3-fluoro-6-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-3-fluoro-6-hydroxyphenyl)acetate is sourced from PubChem (CID 134631915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).