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

C9H8BrFO3 — CID 131090787

IUPACmethyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Br)c(O)cc1F
InChIInChI=1S/C9H8BrFO3/c1-14-9(13)3-5-2-6(10)8(12)4-7(5)11/h2,4,12H,3H2,1H3
InChIKeyXRALHRWTCCKFMN-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.01
Rot. Bonds2

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

methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate (PubChem CID 131090787) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
PubChem CID131090787
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Namemethyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Br)c(O)cc1F
InChIInChI=1S/C9H8BrFO3/c1-14-9(13)3-5-2-6(10)8(12)4-7(5)11/h2,4,12H,3H2,1H3
InChIKeyXRALHRWTCCKFMN-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.06
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192
methyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)acetate
CID 131424845
methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate
CID 131576437
methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate
CID 130663727
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
methyl 2-(3,4-dibromo-2,5-difluorophenyl)acetate
CID 121228008
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
methyl 2-(3-bromo-2,5,6-trifluorophenyl)acetate
CID 131522838
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
methyl 2-amino-3-(5-bromo-4-fluoro-2-hydroxyphenyl)propanoate
CID 170884169
methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate (CID 131090787) is methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate is COC(=O)Cc1cc(Br)c(O)cc1F.
What is the InChIKey of methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate?
The InChIKey is XRALHRWTCCKFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c1-14-9(13)3-5-2-6(10)8(12)4-7(5)11/h2,4,12H,3H2,1H3.
What are the key properties of methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate?
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate has a molecular weight of 263.06 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate is sourced from PubChem (CID 131090787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).