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

C12H15ClO3 — CID 117358770

IUPACethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Cl)cc(C)c1C
InChIInChI=1S/C12H15ClO3/c1-4-16-12(15)11(14)10-6-9(13)5-7(2)8(10)3/h5-6,11,14H,4H2,1-3H3
InChIKeyJFNDFJYQWQNYMY-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.55
Rot. Bonds3

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

ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate (PubChem CID 117358770) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
PubChem CID117358770
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cc(Cl)cc(C)c1C
InChIInChI=1S/C12H15ClO3/c1-4-16-12(15)11(14)10-6-9(13)5-7(2)8(10)3/h5-6,11,14H,4H2,1-3H3
InChIKeyJFNDFJYQWQNYMY-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439
ethyl 2-(5-chloro-3-ethyl-2-hydroxyphenyl)-2-hydroxyacetate
CID 117400446
ethyl 2-[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117481023
ethyl 2-(6-chloro-1,3-benzodioxol-4-yl)-2-hydroxyacetate
CID 117400231
ethyl (2S)-2-(4-chlorophenyl)-2-hydroxyacetate
CID 93047913
ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117329427
ethyl 2-(5-chloro-8-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117462314
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
ethyl 2-(2-amino-3,5-dichlorophenyl)propanoate
CID 106987677
methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117363678
ethyl 2-(3-chloro-5-methylsulfonylphenyl)-2-hydroxyacetate
CID 117472663
ethyl 2-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117443299

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate (CID 117358770) is ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate is CCOC(=O)C(O)c1cc(Cl)cc(C)c1C.
What is the InChIKey of ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate?
The InChIKey is JFNDFJYQWQNYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-4-16-12(15)11(14)10-6-9(13)5-7(2)8(10)3/h5-6,11,14H,4H2,1-3H3.
What are the key properties of ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate?
ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate has a molecular weight of 242.70 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117358770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).