1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene

C20H23F3O — CID 146530214

IUPAC1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(CC(C)(C)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3O/c1-14(2)16-7-5-15(6-8-16)13-19(3,4)17-9-11-18(12-10-17)24-20(21,22)23/h5-12,14H,13H2,1-4H3
InChIKeySXQOJXZFVFHKCL-UHFFFAOYSA-N
MW336.40 g/mol
LogP6.23
Rot. Bonds5

About 1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene

1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene (PubChem CID 146530214) has the molecular formula C20H23F3O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene
PubChem CID146530214
Molecular FormulaC20H23F3O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene
SMILESCC(C)c1ccc(CC(C)(C)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3O/c1-14(2)16-7-5-15(6-8-16)13-19(3,4)17-9-11-18(12-10-17)24-20(21,22)23/h5-12,14H,13H2,1-4H3
InChIKeySXQOJXZFVFHKCL-UHFFFAOYSA-N
XLogP6.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.40
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methyl-2-phenylpropyl)-4-propan-2-ylbenzene
CID 57304715
1-fluoro-4-[2-methyl-1-[4-(4-propan-2-ylphenyl)phenyl]propan-2-yl]benzene
CID 170265262
1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene
CID 163531384
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene
CID 134341639
2-methyl-2-(4-propan-2-ylphenoxy)-3-(4-propan-2-ylphenyl)propanoic acid
CID 10688529
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
1-fluoro-4-[2-(4-propan-2-ylphenoxy)propan-2-yl]benzene
CID 166842431
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 91726745
1-(2,2-dimethylpropyl)-4-propan-2-ylbenzene;methane
CID 166076943

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene (CID 146530214) is 1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene is CC(C)c1ccc(CC(C)(C)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene?
The InChIKey is SXQOJXZFVFHKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3O/c1-14(2)16-7-5-15(6-8-16)13-19(3,4)17-9-11-18(12-10-17)24-20(21,22)23/h5-12,14H,13H2,1-4H3.
What are the key properties of 1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene?
1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene has a molecular weight of 336.40 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 146530214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).