methyl 2-(3-fluoro-4-hydroxyphenyl)acetate

C9H9FO3 — CID 10797559

IUPACmethyl 2-(3-fluoro-4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(O)c(F)c1
InChIInChI=1S/C9H9FO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5H2,1H3
InChIKeyAXONPFSLAZILIE-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.25
Rot. Bonds2

About methyl 2-(3-fluoro-4-hydroxyphenyl)acetate

methyl 2-(3-fluoro-4-hydroxyphenyl)acetate (PubChem CID 10797559) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is methyl 2-(3-fluoro-4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-4-hydroxyphenyl)acetate
PubChem CID10797559
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Namemethyl 2-(3-fluoro-4-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1ccc(O)c(F)c1
InChIInChI=1S/C9H9FO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5H2,1H3
InChIKeyAXONPFSLAZILIE-UHFFFAOYSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-4-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(3-fluoro-4-hydroxyphenyl)acetate (CID 10797559) is methyl 2-(3-fluoro-4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(3-fluoro-4-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(3-fluoro-4-hydroxyphenyl)acetate is COC(=O)Cc1ccc(O)c(F)c1.
What is the InChIKey of methyl 2-(3-fluoro-4-hydroxyphenyl)acetate?
The InChIKey is AXONPFSLAZILIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4,11H,5H2,1H3.
What are the key properties of methyl 2-(3-fluoro-4-hydroxyphenyl)acetate?
methyl 2-(3-fluoro-4-hydroxyphenyl)acetate has a molecular weight of 184.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-4-hydroxyphenyl)acetate is sourced from PubChem (CID 10797559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).