ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate

C11H13FO5 — CID 117361967

IUPACethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(OC)cc(O)c1F
InChIInChI=1S/C11H13FO5/c1-3-17-11(15)10(14)7-4-6(16-2)5-8(13)9(7)12/h4-5,10,13-14H,3H2,1-2H3
InChIKeyVPMSTLGEKQBNPP-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.14
Rot. Bonds4

About ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate

ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate (PubChem CID 117361967) has the molecular formula C11H13FO5 and a molecular weight of 244.22 g/mol. Its IUPAC name is ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
PubChem CID117361967
Molecular FormulaC11H13FO5
Molecular Weight244.22 g/mol
Exact Mass244.07
IUPAC Nameethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(OC)cc(O)c1F
InChIInChI=1S/C11H13FO5/c1-3-17-11(15)10(14)7-4-6(16-2)5-8(13)9(7)12/h4-5,10,13-14H,3H2,1-2H3
InChIKeyVPMSTLGEKQBNPP-UHFFFAOYSA-N
XLogP1.14
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-bromo-2-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117492085
ethyl 2-[3-(difluoromethyl)-2-hydroxy-5-methoxyphenyl]-2-hydroxyacetate
CID 117442001
ethyl 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117493187
ethyl 2-hydroxy-2-(2,4,5-trifluoro-3-hydroxyphenyl)acetate
CID 117108858
ethyl 2-hydroxy-2-(4-hydroxy-2,5-dimethoxyphenyl)acetate
CID 117393736
ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117357394
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194
ethyl 2-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117443299
ethyl 2-hydroxy-2-[4-methoxy-2-(methoxymethyl)phenyl]acetate
CID 117388855
ethyl 2-hydroxy-2-(6-methoxy-1,3-benzodioxol-4-yl)acetate
CID 117388370
ethyl 2-(3-bromo-2-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117472831
ethyl 2-(5-bromo-4-fluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117472829

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate (CID 117361967) is ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(OC)cc(O)c1F.
What is the InChIKey of ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate?
The InChIKey is VPMSTLGEKQBNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO5/c1-3-17-11(15)10(14)7-4-6(16-2)5-8(13)9(7)12/h4-5,10,13-14H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate?
ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate has a molecular weight of 244.22 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117361967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).