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

C11H13ClO5 — CID 117406054

IUPACmethyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(OC)cc(Cl)c1OC
InChIInChI=1S/C11H13ClO5/c1-15-6-4-7(9(13)11(14)17-3)10(16-2)8(12)5-6/h4-5,9,13H,1-3H3
InChIKeyJJLBQUAYAANUFR-UHFFFAOYSA-N
MW260.67 g/mol
LogP1.56
Rot. Bonds4

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

methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate (PubChem CID 117406054) has the molecular formula C11H13ClO5 and a molecular weight of 260.67 g/mol. Its IUPAC name is methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
PubChem CID117406054
Molecular FormulaC11H13ClO5
Molecular Weight260.67 g/mol
Exact Mass260.05
IUPAC Namemethyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(OC)cc(Cl)c1OC
InChIInChI=1S/C11H13ClO5/c1-15-6-4-7(9(13)11(14)17-3)10(16-2)8(12)5-6/h4-5,9,13H,1-3H3
InChIKeyJJLBQUAYAANUFR-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

2-amino-2-(3-chloro-2,5-dimethoxyphenyl)acetic acid
CID 83900024
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
ethyl 2-(5-tert-butyl-3-chloro-2-methoxyphenyl)-2-hydroxyacetate
CID 117484496
methyl 2-(2-chloro-5-hydroxyphenyl)-2-hydroxyacetate
CID 117308533
methyl 2-(5-bromo-3,4-difluoro-2-methoxyphenyl)-2-hydroxyacetate
CID 117495753
methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910
methyl 2-(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)-2-hydroxyacetate
CID 117487579
3-chloro-2,5-dimethoxyphenol
CID 84661730
methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate
CID 117380531
ethyl 2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117493187
methyl 2-(3-bromo-5-ethyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117488003

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate (CID 117406054) is methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(OC)cc(Cl)c1OC.
What is the InChIKey of methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate?
The InChIKey is JJLBQUAYAANUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO5/c1-15-6-4-7(9(13)11(14)17-3)10(16-2)8(12)5-6/h4-5,9,13H,1-3H3.
What are the key properties of methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate?
methyl 2-(3-chloro-2,5-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-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117406054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).