ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate

C17H15F3O3 — CID 134627131

IUPACethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate
SMILESCCOC(=O)c1c(OC)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O3/c1-3-23-16(21)15-13(5-4-6-14(15)22-2)11-7-9-12(10-8-11)17(18,19)20/h4-10H,3H2,1-2H3
InChIKeyFRRURJHYAFCWEA-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.56
Rot. Bonds4

About ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate

ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate (PubChem CID 134627131) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate.

Molecular Properties

Compound Nameethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate
PubChem CID134627131
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Nameethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate
SMILESCCOC(=O)c1c(OC)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3O3/c1-3-23-16(21)15-13(5-4-6-14(15)22-2)11-7-9-12(10-8-11)17(18,19)20/h4-10H,3H2,1-2H3
InChIKeyFRRURJHYAFCWEA-UHFFFAOYSA-N
XLogP4.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]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

methyl 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134623083
ethyl 2-methoxy-6-(trifluoromethoxy)benzoate
CID 170997101
2-(methoxymethyl)-6-[4-(trifluoromethyl)phenyl]benzoic acid
CID 154453908
ethyl 2-(4-ethoxycarbonylphenyl)-6-fluorobenzoate
CID 102026387
ethyl 3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]benzoate
CID 119013664
[2-(2-methoxyanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2406143
diethyl 5-[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxylate
CID 102309661
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 1-methyl-4-oxo-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]indole-2-carboxylate
CID 132917739
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2441220
ethyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxylate
CID 2815834
methyl 2-[4-(2-aminopropan-2-yl)phenyl]-6-fluorobenzoate
CID 22349880

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate?
The IUPAC name of ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate (CID 134627131) is ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate.
What is the SMILES notation for ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate?
The canonical SMILES for ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate is CCOC(=O)c1c(OC)cccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate?
The InChIKey is FRRURJHYAFCWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-3-23-16(21)15-13(5-4-6-14(15)22-2)11-7-9-12(10-8-11)17(18,19)20/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate?
ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate has a molecular weight of 324.30 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-6-[4-(trifluoromethyl)phenyl]benzoate is sourced from PubChem (CID 134627131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).