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

C11H13ClO3 — CID 117329439

IUPACmethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)cc(C)c1C
InChIInChI=1S/C11H13ClO3/c1-6-4-8(12)5-9(7(6)2)10(13)11(14)15-3/h4-5,10,13H,1-3H3
InChIKeyCXBGNEHALVPNNJ-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.16
Rot. Bonds2

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

methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate (PubChem CID 117329439) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
PubChem CID117329439
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Namemethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(Cl)cc(C)c1C
InChIInChI=1S/C11H13ClO3/c1-6-4-8(12)5-9(7(6)2)10(13)11(14)15-3/h4-5,10,13H,1-3H3
InChIKeyCXBGNEHALVPNNJ-UHFFFAOYSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117358770
methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117363678
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
methyl 2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-hydroxyacetate
CID 117434568
methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117305837
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl 2-(3-chloro-2-methylphenyl)-2-hydroxyacetate
CID 117305843
methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate
CID 117456058
methyl (3R)-3-amino-3-(5-chloro-2-hydroxy-3-methylphenyl)propanoate;hydrochloride
CID 171251345
methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
CID 117302719
methyl 2-hydroxy-2-(3-hydroxy-2,4-dimethylphenyl)acetate
CID 117300134
methyl 2-(4,5-dimethyl-2-methylsulfanylphenyl)-2-hydroxyacetate
CID 117353748

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate (CID 117329439) is methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(Cl)cc(C)c1C.
What is the InChIKey of methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate?
The InChIKey is CXBGNEHALVPNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-6-4-8(12)5-9(7(6)2)10(13)11(14)15-3/h4-5,10,13H,1-3H3.
What are the key properties of methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate?
methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate has a molecular weight of 228.67 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117329439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).