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

C16H15F3O2 — CID 112788028

IUPAC2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCOc1cc(C)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-11-6-7-14(15(8-11)20-2)21-10-12-4-3-5-13(9-12)16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyDDQMMZBUVKMMMB-UHFFFAOYSA-N
MW296.29 g/mol
LogP4.60
Rot. Bonds4

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

2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 112788028) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID112788028
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCOc1cc(C)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3O2/c1-11-6-7-14(15(8-11)20-2)21-10-12-4-3-5-13(9-12)16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyDDQMMZBUVKMMMB-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
2-methoxy-4-methyl-1-[2-[2-[3-(trifluoromethyl)phenoxy]ethoxy]ethoxy]benzene
CID 2284300
2-methoxy-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 791955
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
N-[[3-[(2-methoxy-4-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62449938
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243
N-[(6-chloro-3-pyridinyl)methyl]-1-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 78895049
2-methyl-6-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437992
2-methyl-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 43437803
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]urea
CID 168534106

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene (CID 112788028) is 2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene is COc1cc(C)ccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is DDQMMZBUVKMMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-11-6-7-14(15(8-11)20-2)21-10-12-4-3-5-13(9-12)16(17,18)19/h3-9H,10H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 296.29 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 112788028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).