methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate

C9H12O3S — CID 62214666

IUPACmethyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(C)sc1C
InChIInChI=1S/C9H12O3S/c1-5-4-7(6(2)13-5)8(10)9(11)12-3/h4,8,10H,1-3H3
InChIKeyRNERYYJECFJDML-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.57
Rot. Bonds2

About methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate

methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate (PubChem CID 62214666) has the molecular formula C9H12O3S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate
PubChem CID62214666
Molecular FormulaC9H12O3S
Molecular Weight200.26 g/mol
Exact Mass200.05
IUPAC Namemethyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(C)sc1C
InChIInChI=1S/C9H12O3S/c1-5-4-7(6(2)13-5)8(10)9(11)12-3/h4,8,10H,1-3H3
InChIKeyRNERYYJECFJDML-UHFFFAOYSA-N
XLogP1.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2,5-dimethylthiophen-3-yl)-hydroxymethyl]butanoate
CID 62395437
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl 2-(4,5-dimethyl-2-methylsulfanylphenyl)-2-hydroxyacetate
CID 117353748
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
methyl 2-(2-fluoro-3,5-dimethylphenyl)-2-hydroxyacetate
CID 117302719
tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 66338499
2-(2,5-dimethylthiophen-3-yl)-2-(2-methoxyethylamino)acetic acid
CID 62539805
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
ethane;methyl 2,5-dimethylthiophene-3-carboxylate
CID 143851717
methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 2-hydroxy-2-(4-methylfuran-3-yl)acetate
CID 130900213

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate (CID 62214666) is methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate is COC(=O)C(O)c1cc(C)sc1C.
What is the InChIKey of methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate?
The InChIKey is RNERYYJECFJDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3S/c1-5-4-7(6(2)13-5)8(10)9(11)12-3/h4,8,10H,1-3H3.
What are the key properties of methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate?
methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate has a molecular weight of 200.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dimethylthiophen-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 62214666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).