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

C15H13F3O2 — CID 112788880

IUPAC1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCOc1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3O2/c1-19-13-5-7-14(8-6-13)20-10-11-3-2-4-12(9-11)15(16,17)18/h2-9H,10H2,1H3
InChIKeyZIYLWFLJKCLHCA-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.29
Rot. Bonds4

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

1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 112788880) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID112788880
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
SMILESCOc1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3O2/c1-19-13-5-7-14(8-6-13)20-10-11-3-2-4-12(9-11)15(16,17)18/h2-9H,10H2,1H3
InChIKeyZIYLWFLJKCLHCA-UHFFFAOYSA-N
XLogP4.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584
(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
CID 59967532
2-[4-[(4-methoxyphenoxy)methyl]phenyl]-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 19550338
ethane;5-methyl-2H-tetrazole;1-(trifluoromethyl)-3-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 143095246
2-methoxy-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788028
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
CID 79782023
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
1-iodo-4-(methoxymethyl)benzene;1-methoxy-4-(methoxymethyl)benzene;1-(methoxymethyl)-4-methylbenzene;1-(methoxymethyl)-3-(trifluoromethyl)benzene;1-(methoxymethyl)-4-(trifluoromethyl)benzene
CID 167659034
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene (CID 112788880) is 1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene is COc1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is ZIYLWFLJKCLHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-19-13-5-7-14(8-6-13)20-10-11-3-2-4-12(9-11)15(16,17)18/h2-9H,10H2,1H3.
What are the key properties of 1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene?
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 282.26 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 112788880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).