methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate

C10H11FO5 — CID 117331982

IUPACmethyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(O)cc(F)cc1OC
InChIInChI=1S/C10H11FO5/c1-15-7-4-5(11)3-6(12)8(7)9(13)10(14)16-2/h3-4,9,12-13H,1-2H3
InChIKeyPRMRYANSHFIQMJ-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.75
Rot. Bonds3

About methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate

methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117331982) has the molecular formula C10H11FO5 and a molecular weight of 230.19 g/mol. Its IUPAC name is methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate
PubChem CID117331982
Molecular FormulaC10H11FO5
Molecular Weight230.19 g/mol
Exact Mass230.06
IUPAC Namemethyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(O)cc(F)cc1OC
InChIInChI=1S/C10H11FO5/c1-15-7-4-5(11)3-6(12)8(7)9(13)10(14)16-2/h3-4,9,12-13H,1-2H3
InChIKeyPRMRYANSHFIQMJ-UHFFFAOYSA-N
XLogP0.75
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
2-(1-aminopropan-2-yl)-5-fluoro-3-methoxyphenol
CID 117288596
methyl 2-(2-bromo-5-fluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117472843
methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117493783
methyl 2-(2-bromo-6-fluoro-3,4-dihydroxyphenyl)-2-hydroxyacetate
CID 117475569
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117493779
methyl 2-hydroxy-2-(2,3,6-trifluorophenyl)acetate
CID 117313680
methyl 2-(2,3-difluoro-6-hydroxyphenyl)-2-hydroxyacetate
CID 117310490
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
CID 117357190
2-hydroxy-2-(2,4,6-trimethoxyphenyl)acetamide
CID 62225648

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate (CID 117331982) is methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(O)cc(F)cc1OC.
What is the InChIKey of methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is PRMRYANSHFIQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5/c1-15-7-4-5(11)3-6(12)8(7)9(13)10(14)16-2/h3-4,9,12-13H,1-2H3.
What are the key properties of methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate?
methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 230.19 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoro-2-hydroxy-6-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117331982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).