2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene

C19H21F3O4 — CID 2284300

IUPAC2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene
SMILESCOc1cc(C)ccc1OCCOCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3O4/c1-14-6-7-17(18(12-14)23-2)26-11-9-24-8-10-25-16-5-3-4-15(13-16)19(20,21)22/h3-7,12-13H,8-11H2,1-2H3
InChIKeyLJWYDZWJABIZBL-UHFFFAOYSA-N
MW370.37 g/mol
LogP4.50
Rot. Bonds9

About 2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene

2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene (PubChem CID 2284300) has the molecular formula C19H21F3O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is 2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene
PubChem CID2284300
Molecular FormulaC19H21F3O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC Name2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene
SMILESCOc1cc(C)ccc1OCCOCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H21F3O4/c1-14-6-7-17(18(12-14)23-2)26-11-9-24-8-10-25-16-5-3-4-15(13-16)19(20,21)22/h3-7,12-13H,8-11H2,1-2H3
InChIKeyLJWYDZWJABIZBL-UHFFFAOYSA-N
XLogP4.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
2-methoxy-4-methyl-1-[2-(trifluoromethoxy)ethoxy]benzene
CID 58550881
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
1-[2-[2-(2-bromophenoxy)ethoxy]ethoxy]-2-methoxy-4-methylbenzene
CID 2283053
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-1-propan-2-ylbenzene
CID 2283471
2-chloro-1-[2-(3-methoxyphenoxy)ethoxy]-4-methylbenzene
CID 2898830
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
1-[3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]ethanone
CID 78767186
2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 121390824

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene?
The IUPAC name of 2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene (CID 2284300) is 2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene.
What is the SMILES notation for 2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene?
The canonical SMILES for 2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene is COc1cc(C)ccc1OCCOCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene?
The InChIKey is LJWYDZWJABIZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3O4/c1-14-6-7-17(18(12-14)23-2)26-11-9-24-8-10-25-16-5-3-4-15(13-16)19(20,21)22/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene?
2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene has a molecular weight of 370.37 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene is sourced from PubChem (CID 2284300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).