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

C11H13ClO5 — CID 117406038

IUPACmethyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(OC)ccc(OC)c1Cl
InChIInChI=1S/C11H13ClO5/c1-15-6-4-5-7(16-2)9(12)8(6)10(13)11(14)17-3/h4-5,10,13H,1-3H3
InChIKeyHGVOCFJIBDRFNQ-UHFFFAOYSA-N
MW260.67 g/mol
LogP1.56
Rot. Bonds4

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

methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate (PubChem CID 117406038) has the molecular formula C11H13ClO5 and a molecular weight of 260.67 g/mol. Its IUPAC name is methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
PubChem CID117406038
Molecular FormulaC11H13ClO5
Molecular Weight260.67 g/mol
Exact Mass260.05
IUPAC Namemethyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1c(OC)ccc(OC)c1Cl
InChIInChI=1S/C11H13ClO5/c1-15-6-4-5-7(16-2)9(12)8(6)10(13)11(14)17-3/h4-5,10,13H,1-3H3
InChIKeyHGVOCFJIBDRFNQ-UHFFFAOYSA-N
XLogP1.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.67
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-ethyl-3,6-dimethoxyphenyl)-2-hydroxyacetate
CID 117388905
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117428827
methyl 2-(2-fluoro-6-methoxyphenyl)-2-hydroxyacetate
CID 117305035
methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
CID 117357886
methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
CID 117442178
methyl 2-(6-chloro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-hydroxyacetate
CID 117466340
methyl 2-(2,6-difluoro-3,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117409610
methyl 2-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117474610
methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117487579
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
2-amino-2-(2-chloro-6-hydroxy-3-methoxyphenyl)acetic acid
CID 84794912

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate (CID 117406038) is methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1c(OC)ccc(OC)c1Cl.
What is the InChIKey of methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate?
The InChIKey is HGVOCFJIBDRFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO5/c1-15-6-4-5-7(16-2)9(12)8(6)10(13)11(14)17-3/h4-5,10,13H,1-3H3.
What are the key properties of methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate?
methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate has a molecular weight of 260.67 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloro-3,6-dimethoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117406038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).