methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate

C10H10BrFO5 — CID 117493783

IUPACmethyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(O)c(OC)cc(Br)c1F
InChIInChI=1S/C10H10BrFO5/c1-16-5-3-4(11)7(12)6(8(5)13)9(14)10(15)17-2/h3,9,13-14H,1-2H3
InChIKeyOHOURQBEZCIGGA-UHFFFAOYSA-N
MW309.09 g/mol
LogP1.51
Rot. Bonds3

About methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate

methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117493783) has the molecular formula C10H10BrFO5 and a molecular weight of 309.09 g/mol. Its IUPAC name is methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
PubChem CID117493783
Molecular FormulaC10H10BrFO5
Molecular Weight309.09 g/mol
Exact Mass307.97
IUPAC Namemethyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(O)c(OC)cc(Br)c1F
InChIInChI=1S/C10H10BrFO5/c1-16-5-3-4(11)7(12)6(8(5)13)9(14)10(15)17-2/h3,9,13-14H,1-2H3
InChIKeyOHOURQBEZCIGGA-UHFFFAOYSA-N
XLogP1.51
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.09
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-(2-bromo-6-fluoro-3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 117475569
methyl 2-(5-bromo-2,4-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117495752
methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate
CID 117331982
methyl 2-(3-bromo-6-chloro-2-fluorophenyl)-2-hydroxyacetate
CID 117479158
methyl 2-(4-bromo-2-hydroxy-3-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117490298
methyl 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117495753
methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117472843
methyl 2-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)-2-hydroxyacetate
CID 117491996
methyl 2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117493779
2-(2-bromo-3-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetic acid
CID 117475581
3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one
CID 117471471

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate (CID 117493783) is methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(O)c(OC)cc(Br)c1F.
What is the InChIKey of methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is OHOURQBEZCIGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO5/c1-16-5-3-4(11)7(12)6(8(5)13)9(14)10(15)17-2/h3,9,13-14H,1-2H3.
What are the key properties of methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate?
methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 309.09 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117493783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).