methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate

C9H8BrFO3 — CID 130663727

IUPACmethyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Br)cc(O)c1F
InChIInChI=1S/C9H8BrFO3/c1-14-8(13)3-5-2-6(10)4-7(12)9(5)11/h2,4,12H,3H2,1H3
InChIKeyPNEYIGOCJVMICZ-UHFFFAOYSA-N
MW263.06 g/mol
LogP2.01
Rot. Bonds2

About methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate

methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate (PubChem CID 130663727) has the molecular formula C9H8BrFO3 and a molecular weight of 263.06 g/mol. Its IUPAC name is methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate
PubChem CID130663727
Molecular FormulaC9H8BrFO3
Molecular Weight263.06 g/mol
Exact Mass261.96
IUPAC Namemethyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(Br)cc(O)c1F
InChIInChI=1S/C9H8BrFO3/c1-14-8(13)3-5-2-6(10)4-7(12)9(5)11/h2,4,12H,3H2,1H3
InChIKeyPNEYIGOCJVMICZ-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

Analyze methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(3,4-dibromo-2,5-difluorophenyl)acetate
CID 121228008
methyl 2-(5-bromo-2-fluoro-4-hydroxyphenyl)acetate
CID 131090787
methyl 2-(2,5-dibromo-3-chlorophenyl)acetate
CID 171033937
methyl 2-(3-amino-2,5-dibromophenyl)acetate
CID 131482485
methyl 2-(2,5-difluoro-4-hydroxyphenyl)acetate
CID 91755192
methyl 2-(3-bromo-2,4-difluorophenyl)acetate
CID 131171218
methyl 2-[5-bromo-2-(bromomethyl)-3-methylphenyl]acetate
CID 171023295
methyl 2-(5-bromo-2-fluoro-4-pyridinyl)acetate
CID 131074156
methyl 3-(4-bromo-2-hydroxyphenyl)propanoate
CID 154733783
ethyl 2-(3,5-dibromo-2-fluorophenyl)acetate
CID 121228103
methyl 2-(3-bromo-2-fluoro-6-hydroxyphenyl)acetate
CID 131117804
methyl 2-(2-fluoro-4-hydroxy-5-methylphenyl)acetate
CID 131424845

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate (CID 130663727) is methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate is COC(=O)Cc1cc(Br)cc(O)c1F.
What is the InChIKey of methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate?
The InChIKey is PNEYIGOCJVMICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO3/c1-14-8(13)3-5-2-6(10)4-7(12)9(5)11/h2,4,12H,3H2,1H3.
What are the key properties of methyl 2-(5-bromo-2-fluoro-3-hydroxyphenyl)acetate?
methyl 2-(5-bromo-2-fluoro-3-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-3-hydroxyphenyl)acetate is sourced from PubChem (CID 130663727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).