methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate

C11H11F3O3 — CID 162581639

IUPACmethyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
SMILESCOC(=O)c1c(OC)ccc(C(F)(F)F)c1C
InChIInChI=1S/C11H11F3O3/c1-6-7(11(12,13)14)4-5-8(16-2)9(6)10(15)17-3/h4-5H,1-3H3
InChIKeyITEKDEPQVMNNRH-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.81
Rot. Bonds2

About methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate

methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate (PubChem CID 162581639) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
PubChem CID162581639
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Namemethyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
SMILESCOC(=O)c1c(OC)ccc(C(F)(F)F)c1C
InChIInChI=1S/C11H11F3O3/c1-6-7(11(12,13)14)4-5-8(16-2)9(6)10(15)17-3/h4-5H,1-3H3
InChIKeyITEKDEPQVMNNRH-UHFFFAOYSA-N
XLogP2.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate
CID 67067577
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
methyl 4-methoxy-3-(trifluoromethyl)benzoate
CID 19360538
methyl 2,6-difluoro-3-methyl-4-(trifluoromethyl)benzoate
CID 154645474
tert-butyl 6-(3,4-difluoro-2-methoxyphenoxy)-2-methyl-3-(trifluoromethyl)benzoate
CID 154645445
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
tert-butyl 6-(3,4-difluoro-2-methylphenoxy)-2-methyl-3-(trifluoromethyl)benzoate
CID 154643784
methyl 4,5-dimethoxy-2-(trifluoromethyl)benzoate
CID 171032673
methyl 4-hydroxy-2,6-bis(trifluoromethyl)benzoate
CID 134639096
3-methoxy-6-(trifluoromethyl)benzene-1,2-diol
CID 84675773
2,6-dimethyl-3-(trifluoromethyl)benzoic acid;ethane
CID 170757552
methyl 3,4,6-trimethoxy-2-methylbenzoate
CID 14037919

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate?
The IUPAC name of methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate (CID 162581639) is methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate.
What is the SMILES notation for methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate?
The canonical SMILES for methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate is COC(=O)c1c(OC)ccc(C(F)(F)F)c1C.
What is the InChIKey of methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate?
The InChIKey is ITEKDEPQVMNNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-6-7(11(12,13)14)4-5-8(16-2)9(6)10(15)17-3/h4-5H,1-3H3.
What are the key properties of methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate?
methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate has a molecular weight of 248.20 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-methyl-3-(trifluoromethyl)benzoate is sourced from PubChem (CID 162581639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).