methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate

C10H11FO4 — CID 117305035

IUPACmethyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(F)cccc1OC
InChIInChI=1S/C10H11FO4/c1-14-7-5-3-4-6(11)8(7)9(12)10(13)15-2/h3-5,9,12H,1-2H3
InChIKeyYVJQUMWPRYRPIH-UHFFFAOYSA-N
MW214.19 g/mol
LogP1.04
Rot. Bonds3

About methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate

methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117305035) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
PubChem CID117305035
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Namemethyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(F)cccc1OC
InChIInChI=1S/C10H11FO4/c1-14-7-5-3-4-6(11)8(7)9(12)10(13)15-2/h3-5,9,12H,1-2H3
InChIKeyYVJQUMWPRYRPIH-UHFFFAOYSA-N
XLogP1.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
CID 117357886
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
methyl 4-(2-fluoro-6-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895486
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
1-(2-fluoro-6-methoxyphenyl)ethane-1,2-diol
CID 146455332
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate (CID 117305035) is methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(F)cccc1OC.
What is the InChIKey of methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is YVJQUMWPRYRPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-14-7-5-3-4-6(11)8(7)9(12)10(13)15-2/h3-5,9,12H,1-2H3.
What are the key properties of methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate?
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 214.19 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117305035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).