methyl 2-methoxy-4-(trifluoromethyl)benzoate

C10H9F3O3 — CID 24728010

IUPACmethyl 2-methoxy-4-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C10H9F3O3/c1-15-8-5-6(10(11,12)13)3-4-7(8)9(14)16-2/h3-5H,1-2H3
InChIKeyIQJONCSBFGWAGB-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.50
Rot. Bonds2

About methyl 2-methoxy-4-(trifluoromethyl)benzoate

methyl 2-methoxy-4-(trifluoromethyl)benzoate (PubChem CID 24728010) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is methyl 2-methoxy-4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-(trifluoromethyl)benzoate
PubChem CID24728010
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Namemethyl 2-methoxy-4-(trifluoromethyl)benzoate
SMILESCOC(=O)c1ccc(C(F)(F)F)cc1OC
InChIInChI=1S/C10H9F3O3/c1-15-8-5-6(10(11,12)13)3-4-7(8)9(14)16-2/h3-5H,1-2H3
InChIKeyIQJONCSBFGWAGB-UHFFFAOYSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-methoxy-4-(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

Related Compounds

2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2-methoxy-4-(trifluoromethyl)benzamide
CID 3788214
methyl 2-cyanato-4-(trifluoromethyl)benzoate;sulfane
CID 162161621
methyl 2-(4-methoxy-4-oxobutoxy)-4-(trifluoromethyl)benzoate
CID 59845787
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409
3-bromo-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-1-one
CID 134625236
N-(1-hydroxy-2-methylpropan-2-yl)-2-methoxy-4-(trifluoromethyl)benzamide
CID 66681124
[2-[(4-chloro-2-methoxybenzoyl)amino]-5-(trifluoromethyl)phenyl] 4-chloro-2-methoxybenzoate
CID 70691202
2-methoxy-4-(trifluoromethyl)benzenecarboximidate
CID 154458446
methyl 4-(trifluoromethyl)-2-(trifluoromethylsulfanylamino)benzoate
CID 142297622
methyl 4-[diethoxy(phosphoroso)methyl]-2-methoxybenzoate
CID 174825251
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-(trifluoromethyl)benzoate?
The IUPAC name of methyl 2-methoxy-4-(trifluoromethyl)benzoate (CID 24728010) is methyl 2-methoxy-4-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 2-methoxy-4-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 2-methoxy-4-(trifluoromethyl)benzoate is COC(=O)c1ccc(C(F)(F)F)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-(trifluoromethyl)benzoate?
The InChIKey is IQJONCSBFGWAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-15-8-5-6(10(11,12)13)3-4-7(8)9(14)16-2/h3-5H,1-2H3.
What are the key properties of methyl 2-methoxy-4-(trifluoromethyl)benzoate?
methyl 2-methoxy-4-(trifluoromethyl)benzoate has a molecular weight of 234.17 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-(trifluoromethyl)benzoate is sourced from PubChem (CID 24728010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).