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

C10H11ClO3 — CID 117305837

IUPACmethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-6-3-7(5-8(11)4-6)9(12)10(13)14-2/h3-5,9,12H,1-2H3
InChIKeyLIIMTNYLFQRFCK-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.85
Rot. Bonds2

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

methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate (PubChem CID 117305837) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
PubChem CID117305837
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Namemethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C10H11ClO3/c1-6-3-7(5-8(11)4-6)9(12)10(13)14-2/h3-5,9,12H,1-2H3
InChIKeyLIIMTNYLFQRFCK-UHFFFAOYSA-N
XLogP1.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(3-chloro-5-methylphenyl)-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

ethyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117329427
methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108717
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117333182
methyl 2-(3-chloro-5-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117363693
methyl 2-(5-chloro-2,3-dimethylphenyl)-2-hydroxyacetate
CID 117329439
2-(3-chloro-5-methylphenyl)-2-(methylamino)acetamide
CID 130785554
methyl 2-bromo-2-(3,5-dichlorophenyl)acetate
CID 77174840
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831
methyl 2-(3,4-dihydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117302652
methyl 2-(5-chloro-3-methoxy-2-methylphenyl)-2-hydroxyacetate
CID 117363678
ethyl (3S)-3-amino-3-(3-chloro-5-methylphenyl)propanoate
CID 140851212

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate (CID 117305837) is methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(C)cc(Cl)c1.
What is the InChIKey of methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate?
The InChIKey is LIIMTNYLFQRFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6-3-7(5-8(11)4-6)9(12)10(13)14-2/h3-5,9,12H,1-2H3.
What are the key properties of methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate?
methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate has a molecular weight of 214.65 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117305837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).