2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene

C11H13F3O3 — CID 58550881

IUPAC2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
SMILESCOc1cc(C)ccc1OCCOC(F)(F)F
InChIInChI=1S/C11H13F3O3/c1-8-3-4-9(10(7-8)15-2)16-5-6-17-11(12,13)14/h3-4,7H,5-6H2,1-2H3
InChIKeyPVVOLQQQGRRTQD-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.92
Rot. Bonds5

About 2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene

2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene (PubChem CID 58550881) has the molecular formula C11H13F3O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene.

Molecular Properties

Compound Name2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
PubChem CID58550881
Molecular FormulaC11H13F3O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
SMILESCOc1cc(C)ccc1OCCOC(F)(F)F
InChIInChI=1S/C11H13F3O3/c1-8-3-4-9(10(7-8)15-2)16-5-6-17-11(12,13)14/h3-4,7H,5-6H2,1-2H3
InChIKeyPVVOLQQQGRRTQD-UHFFFAOYSA-N
XLogP2.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethyl-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 81004746
1-[(2,2-difluorocyclopropyl)methoxy]-4-methyl-2-(trifluoromethyl)benzene;ethane;2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 144773871
(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 79016651
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
1-(5-chloropentoxy)-2-methoxy-4-methylbenzene
CID 43348422
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene
CID 2284300
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668
1-[4-(2-fluorophenoxy)butoxy]-2-methoxy-4-methylbenzene
CID 2899565
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene?
The IUPAC name of 2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene (CID 58550881) is 2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene.
What is the SMILES notation for 2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene?
The canonical SMILES for 2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene is COc1cc(C)ccc1OCCOC(F)(F)F.
What is the InChIKey of 2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene?
The InChIKey is PVVOLQQQGRRTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O3/c1-8-3-4-9(10(7-8)15-2)16-5-6-17-11(12,13)14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene?
2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene has a molecular weight of 250.22 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene is sourced from PubChem (CID 58550881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).