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

C15H13F3O2 — CID 143173489

IUPAC1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3O2/c1-11-5-7-13(8-6-11)19-10-12-3-2-4-14(9-12)20-15(16,17)18/h2-9H,10H2,1H3
InChIKeyBUUIKDBMOUZAEO-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.47
Rot. Bonds4

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

1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene (PubChem CID 143173489) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
PubChem CID143173489
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
SMILESCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3O2/c1-11-5-7-13(8-6-11)19-10-12-3-2-4-14(9-12)20-15(16,17)18/h2-9H,10H2,1H3
InChIKeyBUUIKDBMOUZAEO-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
CID 91655985
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
methyl-[[3-(trifluoromethoxy)phenyl]methyl]phosphane
CID 142185562
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
2,4-dimethyl-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrole
CID 152523745
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-butyl-3-(trifluoromethoxy)benzene
CID 57030134

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene?
The IUPAC name of 1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene (CID 143173489) is 1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene.
What is the SMILES notation for 1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene?
The canonical SMILES for 1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene is Cc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of 1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene?
The InChIKey is BUUIKDBMOUZAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-11-5-7-13(8-6-11)19-10-12-3-2-4-14(9-12)20-15(16,17)18/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene?
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene has a molecular weight of 282.26 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene is sourced from PubChem (CID 143173489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).