ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate

C11H13FO4 — CID 105485266

IUPACethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate
SMILESCCOC(=O)C(F)c1cccc(O)c1OC
InChIInChI=1S/C11H13FO4/c1-3-16-11(14)9(12)7-5-4-6-8(13)10(7)15-2/h4-6,9,13H,3H2,1-2H3
InChIKeyHXUHBMLSZHDRJL-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.97
Rot. Bonds4

About ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate

ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate (PubChem CID 105485266) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate
PubChem CID105485266
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Nameethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate
SMILESCCOC(=O)C(F)c1cccc(O)c1OC
InChIInChI=1S/C11H13FO4/c1-3-16-11(14)9(12)7-5-4-6-8(13)10(7)15-2/h4-6,9,13H,3H2,1-2H3
InChIKeyHXUHBMLSZHDRJL-UHFFFAOYSA-N
XLogP1.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2,3-dimethylphenyl)-2-fluoroacetate
CID 79366968
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171243721
ethyl 2-fluoro-2-quinolin-8-ylacetate
CID 81224221
3-[(1S,2R)-1-amino-2-hydroxypropyl]-2-methoxyphenol
CID 130664696
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
CID 70047747
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
ethyl 2-(3-chloro-2-nitrophenyl)-2-fluoroacetate
CID 132529914
3-[fluoro(isocyanato)methyl]-2-methoxyphenol
CID 105450420
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-6-methoxyphenyl)propanoate
CID 171245066
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate (CID 105485266) is ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate is CCOC(=O)C(F)c1cccc(O)c1OC.
What is the InChIKey of ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate?
The InChIKey is HXUHBMLSZHDRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-3-16-11(14)9(12)7-5-4-6-8(13)10(7)15-2/h4-6,9,13H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate?
ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate has a molecular weight of 228.22 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate is sourced from PubChem (CID 105485266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).