2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene

C18H19F3O2 — CID 90327154

IUPAC2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene
SMILESCc1cc(Oc2ccc(OC(F)(F)F)cc2)ccc1CC(C)C
InChIInChI=1S/C18H19F3O2/c1-12(2)10-14-4-5-17(11-13(14)3)22-15-6-8-16(9-7-15)23-18(19,20)21/h4-9,11-12H,10H2,1-3H3
InChIKeyUFFYFZHSEOZOOK-UHFFFAOYSA-N
MW324.34 g/mol
LogP5.88
Rot. Bonds5

About 2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene

2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene (PubChem CID 90327154) has the molecular formula C18H19F3O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene
PubChem CID90327154
Molecular FormulaC18H19F3O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene
SMILESCc1cc(Oc2ccc(OC(F)(F)F)cc2)ccc1CC(C)C
InChIInChI=1S/C18H19F3O2/c1-12(2)10-14-4-5-17(11-13(14)3)22-15-6-8-16(9-7-15)23-18(19,20)21/h4-9,11-12H,10H2,1-3H3
InChIKeyUFFYFZHSEOZOOK-UHFFFAOYSA-N
XLogP5.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.34
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-fluorophenoxy)-2-methylphenyl]propan-2-amine
CID 63801756
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891
[2-(2-methylpropyl)-4-(trifluoromethoxy)phenyl]boronic acid
CID 59446372
N-[[2-methyl-4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 167530793
4-[4-[4-[4-hydroxy-3-(2-methylpropyl)phenoxy]-2,6-dimethylphenoxy]phenoxy]-2-(2-methylpropyl)phenol
CID 70442236
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
[3-methyl-4-(2-methylpropyl)phenyl] propanoate
CID 151861053
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
2-methyl-N-[(2-methyl-4-phenoxyphenyl)methyl]propan-1-amine
CID 63552372
1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
CID 63802763
3-methyl-4-(2-methylpropyl)aniline
CID 63889098
N-[[4-(4-iodophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63550899

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene (CID 90327154) is 2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene is Cc1cc(Oc2ccc(OC(F)(F)F)cc2)ccc1CC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene?
The InChIKey is UFFYFZHSEOZOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O2/c1-12(2)10-14-4-5-17(11-13(14)3)22-15-6-8-16(9-7-15)23-18(19,20)21/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene?
2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene has a molecular weight of 324.34 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-4-[4-(trifluoromethoxy)phenoxy]benzene is sourced from PubChem (CID 90327154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).