ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate

C12H15FO5 — CID 117398829

IUPACethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(OC)ccc(F)c1OC
InChIInChI=1S/C12H15FO5/c1-4-18-12(15)10(14)9-8(16-2)6-5-7(13)11(9)17-3/h5-6,10,14H,4H2,1-3H3
InChIKeyKFGRGYUZCWBOKH-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.44
Rot. Bonds5

About ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate

ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate (PubChem CID 117398829) has the molecular formula C12H15FO5 and a molecular weight of 258.24 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
PubChem CID117398829
Molecular FormulaC12H15FO5
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Nameethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c(OC)ccc(F)c1OC
InChIInChI=1S/C12H15FO5/c1-4-18-12(15)10(14)9-8(16-2)6-5-7(13)11(9)17-3/h5-6,10,14H,4H2,1-3H3
InChIKeyKFGRGYUZCWBOKH-UHFFFAOYSA-N
XLogP1.44
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
ethyl 2-(4-fluoro-2,3-dimethoxy-6-methylphenyl)-2-hydroxyacetate
CID 117433354
ethyl 2-(3-chloro-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117411374
ethyl 2-(3-bromo-4-fluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117492087
2-(3-fluoro-2,6-dimethoxyphenyl)propanoic acid
CID 117328468
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117490283
3-(3-fluoro-2,6-dimethoxyphenyl)butan-1-amine
CID 117327116
ethyl 2-(3-fluoro-2-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117357394
ethyl 2-(2,4-difluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117367194

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate (CID 117398829) is ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1c(OC)ccc(F)c1OC.
What is the InChIKey of ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate?
The InChIKey is KFGRGYUZCWBOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO5/c1-4-18-12(15)10(14)9-8(16-2)6-5-7(13)11(9)17-3/h5-6,10,14H,4H2,1-3H3.
What are the key properties of ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate?
ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate has a molecular weight of 258.24 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117398829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).