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

C10H10BrFO4 — CID 117472829

IUPACethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Br)c(F)cc1O
InChIInChI=1S/C10H10BrFO4/c1-2-16-10(15)9(14)5-3-6(11)7(12)4-8(5)13/h3-4,9,13-14H,2H2,1H3
InChIKeyHLUMWOYXBHRTDG-UHFFFAOYSA-N
MW293.09 g/mol
LogP1.89
Rot. Bonds3

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

ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate (PubChem CID 117472829) has the molecular formula C10H10BrFO4 and a molecular weight of 293.09 g/mol. Its IUPAC name is ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
PubChem CID117472829
Molecular FormulaC10H10BrFO4
Molecular Weight293.09 g/mol
Exact Mass291.97
IUPAC Nameethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Br)c(F)cc1O
InChIInChI=1S/C10H10BrFO4/c1-2-16-10(15)9(14)5-3-6(11)7(12)4-8(5)13/h3-4,9,13-14H,2H2,1H3
InChIKeyHLUMWOYXBHRTDG-UHFFFAOYSA-N
XLogP1.89
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-bromo-2-hydroxyphenyl)-2-hydroxyacetate
CID 117439456
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117335730
ethyl 2-(5-bromo-2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 117469979
ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
CID 117108858
ethyl 2-(3-bromo-2-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117492085
ethyl 2-(3-bromo-5-fluoro-2-hydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117492075
ethyl 2-(3-bromo-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117472831
ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117361967
ethyl 2-(5-bromo-4-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117487986
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl 2-hydroxy-2-[2-hydroxy-4-(trifluoromethyl)phenyl]acetate
CID 117414481
ethyl 2-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxyacetate
CID 15446383

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate (CID 117472829) is ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(Br)c(F)cc1O.
What is the InChIKey of ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate?
The InChIKey is HLUMWOYXBHRTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO4/c1-2-16-10(15)9(14)5-3-6(11)7(12)4-8(5)13/h3-4,9,13-14H,2H2,1H3.
What are the key properties of ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate?
ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate has a molecular weight of 293.09 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117472829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).