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

C24H23F3O2 — CID 141128245

IUPAC1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
SMILESCC(C)CC(Oc1cccc(-c2ccc(OC(F)(F)F)cc2)c1)c1ccccc1
InChIInChI=1S/C24H23F3O2/c1-17(2)15-23(19-7-4-3-5-8-19)28-22-10-6-9-20(16-22)18-11-13-21(14-12-18)29-24(25,26)27/h3-14,16-17,23H,15H2,1-2H3
InChIKeyOSYWZEHUHONWQL-UHFFFAOYSA-N
MW400.44 g/mol
LogP7.42
Rot. Bonds7

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

1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 141128245) has the molecular formula C24H23F3O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID141128245
Molecular FormulaC24H23F3O2
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
SMILESCC(C)CC(Oc1cccc(-c2ccc(OC(F)(F)F)cc2)c1)c1ccccc1
InChIInChI=1S/C24H23F3O2/c1-17(2)15-23(19-7-4-3-5-8-19)28-22-10-6-9-20(16-22)18-11-13-21(14-12-18)29-24(25,26)27/h3-14,16-17,23H,15H2,1-2H3
InChIKeyOSYWZEHUHONWQL-UHFFFAOYSA-N
XLogP7.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 122534355
[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
CID 162602245
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
2-pent-4-ynoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenoxy]acetic acid
CID 143162106
2-[3-methoxy-5-[3-[4-(trifluoromethoxy)phenyl]phenoxy]phenyl]acetic acid
CID 25062184
propan-2-ol;trifluoromethoxybenzene
CID 161029707
[3-[4-(trifluoromethoxy)phenyl]phenyl]methylazanide
CID 157271933
trifluoromethoxybenzene
CID 157402708

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene (CID 141128245) is 1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene is CC(C)CC(Oc1cccc(-c2ccc(OC(F)(F)F)cc2)c1)c1ccccc1.
What is the InChIKey of 1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is OSYWZEHUHONWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3O2/c1-17(2)15-23(19-7-4-3-5-8-19)28-22-10-6-9-20(16-22)18-11-13-21(14-12-18)29-24(25,26)27/h3-14,16-17,23H,15H2,1-2H3.
What are the key properties of 1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene?
1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 400.44 g/mol, XLogP of 7.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 141128245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).