methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate

C12H15ClO3 — CID 106818489

IUPACmethyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)C(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H15ClO3/c1-7-4-5-9(6-10(7)13)11(14)8(2)12(15)16-3/h4-6,8,11,14H,1-3H3
InChIKeyYPMGSHIRZCNZAD-UHFFFAOYSA-N
MW242.70 g/mol
LogP2.49
Rot. Bonds3

About methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate

methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate (PubChem CID 106818489) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
PubChem CID106818489
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Namemethyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)C(O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C12H15ClO3/c1-7-4-5-9(6-10(7)13)11(14)8(2)12(15)16-3/h4-6,8,11,14H,1-3H3
InChIKeyYPMGSHIRZCNZAD-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate 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 3-(3-chloro-4-methylphenyl)-2,3-dihydroxypropanoate
CID 171863615
methyl 3-(3-chloro-4-hydroxyphenyl)-3-hydroxy-2-methylpropanoate
CID 62394188
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 62393477
3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid
CID 65026320
methyl 3-[3-(difluoromethyl)phenyl]-3-hydroxy-2-methylpropanoate
CID 115528620
methyl 2-(3-chloro-4-methylphenyl)hexanoate
CID 107560881
3-amino-1-(3-chloro-4-methylphenyl)propane-1,2-diol
CID 170827605
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
methyl 2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)acetate
CID 106817672
2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
CID 106819374
1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
CID 107560146
3-amino-1-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188783

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate (CID 106818489) is methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate is COC(=O)C(C)C(O)c1ccc(C)c(Cl)c1.
What is the InChIKey of methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate?
The InChIKey is YPMGSHIRZCNZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-7-4-5-9(6-10(7)13)11(14)8(2)12(15)16-3/h4-6,8,11,14H,1-3H3.
What are the key properties of methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate?
methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate has a molecular weight of 242.70 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate is sourced from PubChem (CID 106818489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).