methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate

C10H11ClO4 — CID 117333182

IUPACmethyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(C)c(O)c(Cl)c1
InChIInChI=1S/C10H11ClO4/c1-5-3-6(4-7(11)8(5)12)9(13)10(14)15-2/h3-4,9,12-13H,1-2H3
InChIKeyGNBVELTZDRXDKM-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.56
Rot. Bonds2

About methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate

methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate (PubChem CID 117333182) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
PubChem CID117333182
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Namemethyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc(C)c(O)c(Cl)c1
InChIInChI=1S/C10H11ClO4/c1-5-3-6(4-7(11)8(5)12)9(13)10(14)15-2/h3-4,9,12-13H,1-2H3
InChIKeyGNBVELTZDRXDKM-UHFFFAOYSA-N
XLogP1.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-chloro-4-hydroxy-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

methyl 2-(3,4-dihydroxy-5-methylphenyl)-2-hydroxyacetate
CID 117302652
methyl 2-hydroxy-2-(3,4,5-trimethylphenyl)acetate
CID 117297734
methyl 2-(3-chloro-5-methoxy-4-methylphenyl)-2-hydroxyacetate
CID 117363693
methyl 2-(3-chloro-5-methylphenyl)-2-hydroxyacetate
CID 117305837
methyl (2S)-2-amino-3-(3-chloro-4-hydroxy-5-methylphenyl)propanoate;hydrochloride
CID 69314172
methyl 2-(3-chloro-4-fluoro-5-methoxyphenyl)-2-hydroxyacetate
CID 117374793
4-(1-aminoethyl)-2-chloro-6-methylphenol
CID 84660355
2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid
CID 84783600
ethyl 2-(3-chloro-5-fluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117374774
methyl 2-amino-2-(4-hydroxy-3,5-dimethylphenyl)acetate
CID 60796972
methyl 2-(3-fluoro-4-methoxy-5-methylphenyl)-2-hydroxyacetate
CID 117328416
methyl 2-(2-chloro-3,4-dihydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117369055

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate (CID 117333182) is methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate is COC(=O)C(O)c1cc(C)c(O)c(Cl)c1.
What is the InChIKey of methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate?
The InChIKey is GNBVELTZDRXDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-5-3-6(4-7(11)8(5)12)9(13)10(14)15-2/h3-4,9,12-13H,1-2H3.
What are the key properties of methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate?
methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate has a molecular weight of 230.65 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-4-hydroxy-5-methylphenyl)-2-hydroxyacetate is sourced from PubChem (CID 117333182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).