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

C13H18O5 — CID 117388905

IUPACmethyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate
SMILESCCc1c(OC)ccc(OC)c1C(O)C(=O)OC
InChIInChI=1S/C13H18O5/c1-5-8-9(16-2)6-7-10(17-3)11(8)12(14)13(15)18-4/h6-7,12,14H,5H2,1-4H3
InChIKeyRTRAGRFZMGVIHK-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.47
Rot. Bonds5

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

methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate (PubChem CID 117388905) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate
PubChem CID117388905
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Namemethyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate
SMILESCCc1c(OC)ccc(OC)c1C(O)C(=O)OC
InChIInChI=1S/C13H18O5/c1-5-8-9(16-2)6-7-10(17-3)11(8)12(14)13(15)18-4/h6-7,12,14H,5H2,1-4H3
InChIKeyRTRAGRFZMGVIHK-UHFFFAOYSA-N
XLogP1.47
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117428827
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
CID 117442178
ethyl 2-hydroxy-2-(2,3,6-trimethoxyphenyl)acetate
CID 117428823
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
CID 117357886
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117474610
ethyl 2-(3-fluoro-2,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117398829
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
3-amino-2-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385837

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate (CID 117388905) is methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate is CCc1c(OC)ccc(OC)c1C(O)C(=O)OC.
What is the InChIKey of methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate?
The InChIKey is RTRAGRFZMGVIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-5-8-9(16-2)6-7-10(17-3)11(8)12(14)13(15)18-4/h6-7,12,14H,5H2,1-4H3.
What are the key properties of methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate?
methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate has a molecular weight of 254.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117388905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).