methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate

C13H18O5 — CID 117388910

IUPACmethyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
SMILESCCc1cc(OC)c(OC)c(C(O)C(=O)OC)c1
InChIInChI=1S/C13H18O5/c1-5-8-6-9(11(14)13(15)18-4)12(17-3)10(7-8)16-2/h6-7,11,14H,5H2,1-4H3
InChIKeyZKICRMOZGXUSHN-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.47
Rot. Bonds5

About methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate

methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate (PubChem CID 117388910) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
PubChem CID117388910
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Namemethyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
SMILESCCc1cc(OC)c(OC)c(C(O)C(=O)OC)c1
InChIInChI=1S/C13H18O5/c1-5-8-6-9(11(14)13(15)18-4)12(17-3)10(7-8)16-2/h6-7,11,14H,5H2,1-4H3
InChIKeyZKICRMOZGXUSHN-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

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Related Compounds

2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352962
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117488003
2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
CID 117350532
methyl 2-(5-ethyl-2,3-difluorophenyl)-2-hydroxyacetate
CID 117332045
methyl 2-(2,5-diethylphenyl)-2-hydroxyacetate
CID 117318188
methyl 2-(3-bromo-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117466749
methyl 2-(3-tert-butyl-5-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117420063
3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117446254
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117449915
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
CID 117357190

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate (CID 117388910) is methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate is CCc1cc(OC)c(OC)c(C(O)C(=O)OC)c1.
What is the InChIKey of methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate?
The InChIKey is ZKICRMOZGXUSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-5-8-6-9(11(14)13(15)18-4)12(17-3)10(7-8)16-2/h6-7,11,14H,5H2,1-4H3.
What are the key properties of methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate?
methyl 2-(5-ethyl-2,3-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-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117388910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).