methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate

C12H13F3O5 — CID 117474610

IUPACmethyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(C(F)(F)F)ccc(OC)c1OC
InChIInChI=1S/C12H13F3O5/c1-18-7-5-4-6(12(13,14)15)8(10(7)19-2)9(16)11(17)20-3/h4-5,9,16H,1-3H3
InChIKeyUADSEQWYVJMXCL-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.93
Rot. Bonds4

About methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate

methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate (PubChem CID 117474610) has the molecular formula C12H13F3O5 and a molecular weight of 294.23 g/mol. Its IUPAC name is methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
PubChem CID117474610
Molecular FormulaC12H13F3O5
Molecular Weight294.23 g/mol
Exact Mass294.07
IUPAC Namemethyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(C(F)(F)F)ccc(OC)c1OC
InChIInChI=1S/C12H13F3O5/c1-18-7-5-4-6(12(13,14)15)8(10(7)19-2)9(16)11(17)20-3/h4-5,9,16H,1-3H3
InChIKeyUADSEQWYVJMXCL-UHFFFAOYSA-N
XLogP1.93
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]acetic acid
CID 117447457
1-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84706950
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
methyl 2-(3-fluoro-2,4-dimethoxyphenyl)-2-hydroxyacetate
CID 117361997
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117388905
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117487579
methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117428827
methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
CID 117442178

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate (CID 117474610) is methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate is COC(=O)C(O)c1c(C(F)(F)F)ccc(OC)c1OC.
What is the InChIKey of methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate?
The InChIKey is UADSEQWYVJMXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O5/c1-18-7-5-4-6(12(13,14)15)8(10(7)19-2)9(16)11(17)20-3/h4-5,9,16H,1-3H3.
What are the key properties of methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate?
methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate has a molecular weight of 294.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117474610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).