methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate

C10H9F3O3 — CID 10998923

IUPACmethyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate
SMILESCOC(=O)c1c(O)cc(C)cc1C(F)(F)F
InChIInChI=1S/C10H9F3O3/c1-5-3-6(10(11,12)13)8(7(14)4-5)9(15)16-2/h3-4,14H,1-2H3
InChIKeyJOYWRUZKDJHYCE-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.51
Rot. Bonds1

About methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate

methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate (PubChem CID 10998923) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate
PubChem CID10998923
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Namemethyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate
SMILESCOC(=O)c1c(O)cc(C)cc1C(F)(F)F
InChIInChI=1S/C10H9F3O3/c1-5-3-6(10(11,12)13)8(7(14)4-5)9(15)16-2/h3-4,14H,1-2H3
InChIKeyJOYWRUZKDJHYCE-UHFFFAOYSA-N
XLogP2.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate?
The IUPAC name of methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate (CID 10998923) is methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate is COC(=O)c1c(O)cc(C)cc1C(F)(F)F.
What is the InChIKey of methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate?
The InChIKey is JOYWRUZKDJHYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-5-3-6(10(11,12)13)8(7(14)4-5)9(15)16-2/h3-4,14H,1-2H3.
What are the key properties of methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate?
methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate has a molecular weight of 234.17 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-4-methyl-6-(trifluoromethyl)benzoate is sourced from PubChem (CID 10998923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).