methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate

C11H13ClO4 — CID 117363678

IUPACmethyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)cc(OC)c1C
InChIInChI=1S/C11H13ClO4/c1-6-8(10(13)11(14)16-3)4-7(12)5-9(6)15-2/h4-5,10,13H,1-3H3
InChIKeyZXFCRLOQAKYMID-UHFFFAOYSA-N
MW244.67 g/mol
LogP1.86
Rot. Bonds3

About methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate

methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate (PubChem CID 117363678) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate
PubChem CID117363678
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Namemethyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)cc(OC)c1C
InChIInChI=1S/C11H13ClO4/c1-6-8(10(13)11(14)16-3)4-7(12)5-9(6)15-2/h4-5,10,13H,1-3H3
InChIKeyZXFCRLOQAKYMID-UHFFFAOYSA-N
XLogP1.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439
methyl 2-(3-chloro-5-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117363693
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117358770
methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117305837
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117458145
methyl 2-(3-chloro-2-methylphenyl)-2-hydroxyacetate
CID 117305843
2-(3,5-dimethoxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117324991
methyl 2-hydroxy-2-(2-methoxy-4-methyl-5-methylsulfanylphenyl)acetate
CID 117394404
methyl 2-(6-chloro-2,3,4-trimethoxyphenyl)-2-hydroxyacetate
CID 117469723
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate (CID 117363678) is methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(Cl)cc(OC)c1C.
What is the InChIKey of methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate?
The InChIKey is ZXFCRLOQAKYMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-6-8(10(13)11(14)16-3)4-7(12)5-9(6)15-2/h4-5,10,13H,1-3H3.
What are the key properties of methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate?
methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate has a molecular weight of 244.67 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117363678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).