ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate

C13H18O6 — CID 117428823

IUPACethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
SMILESCCOC(=O)C(O)c1c(OC)ccc(OC)c1OC
InChIInChI=1S/C13H18O6/c1-5-19-13(15)11(14)10-8(16-2)6-7-9(17-3)12(10)18-4/h6-7,11,14H,5H2,1-4H3
InChIKeyGOMAXNKHUNTAQN-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.31
Rot. Bonds6

About ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate

ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate (PubChem CID 117428823) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
PubChem CID117428823
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Nameethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
SMILESCCOC(=O)C(O)c1c(OC)ccc(OC)c1OC
InChIInChI=1S/C13H18O6/c1-5-19-13(15)11(14)10-8(16-2)6-7-9(17-3)12(10)18-4/h6-7,11,14H,5H2,1-4H3
InChIKeyGOMAXNKHUNTAQN-UHFFFAOYSA-N
XLogP1.31
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117398829
ethyl 2-(2,6-difluoro-3-methoxyphenyl)-2-hydroxyacetate
CID 117367196
ethyl 2-hydroxy-2-(2-methoxy-5-methylphenyl)acetate
CID 10775496
ethyl 2-(3,6-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117367210
ethyl 2-(6-bromo-2-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117490283
ethyl 2-(3-bromo-2-methoxy-6-methylphenyl)-2-hydroxyacetate
CID 117487989
2-(6-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352963
ethyl 2-hydroxy-2-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)acetate
CID 117388878
methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117388905
methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117474610
ethyl 2-(4-fluoro-2,3-dimethoxy-6-methylphenyl)-2-hydroxyacetate
CID 117433354
methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
CID 117442178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate?
The IUPAC name of ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate (CID 117428823) is ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate is CCOC(=O)C(O)c1c(OC)ccc(OC)c1OC.
What is the InChIKey of ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate?
The InChIKey is GOMAXNKHUNTAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c1-5-19-13(15)11(14)10-8(16-2)6-7-9(17-3)12(10)18-4/h6-7,11,14H,5H2,1-4H3.
What are the key properties of ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate?
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate has a molecular weight of 270.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate is sourced from PubChem (CID 117428823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).