methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate

C12H15ClO6 — CID 117469723

IUPACmethyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Cl)cc(OC)c(OC)c1OC
InChIInChI=1S/C12H15ClO6/c1-16-7-5-6(13)8(9(14)12(15)19-4)11(18-3)10(7)17-2/h5,9,14H,1-4H3
InChIKeyUHNRAMYUGJVONR-UHFFFAOYSA-N
MW290.70 g/mol
LogP1.57
Rot. Bonds5

About methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate

methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate (PubChem CID 117469723) has the molecular formula C12H15ClO6 and a molecular weight of 290.70 g/mol. Its IUPAC name is methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
PubChem CID117469723
Molecular FormulaC12H15ClO6
Molecular Weight290.70 g/mol
Exact Mass290.06
IUPAC Namemethyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(Cl)cc(OC)c(OC)c1OC
InChIInChI=1S/C12H15ClO6/c1-16-7-5-6(13)8(9(14)12(15)19-4)11(18-3)10(7)17-2/h5,9,14H,1-4H3
InChIKeyUHNRAMYUGJVONR-UHFFFAOYSA-N
XLogP1.57
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.70
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-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-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117487579
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117406038
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)ethanol
CID 117409035
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-hydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)acetate
CID 117357190
2-(2-chloro-3,4,6-trimethoxyphenyl)-2-hydroxyacetic acid
CID 117443259
methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117406054
methyl 2-(3-chloro-5-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117363693
methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate
CID 117466340
methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374793
methyl 2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374794

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate (CID 117469723) is methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(Cl)cc(OC)c(OC)c1OC.
What is the InChIKey of methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate?
The InChIKey is UHNRAMYUGJVONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO6/c1-16-7-5-6(13)8(9(14)12(15)19-4)11(18-3)10(7)17-2/h5,9,14H,1-4H3.
What are the key properties of methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate?
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate has a molecular weight of 290.70 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117469723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).