1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene

C11H13F3O — CID 22952870

IUPAC1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCOc1ccc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C11H13F3O/c1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14/h4-7H,1-3H3
InChIKeyGOKQLSHNGFJKIX-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.84
Rot. Bonds2

About 1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene

1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 22952870) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID22952870
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCOc1ccc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C11H13F3O/c1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14/h4-7H,1-3H3
InChIKeyGOKQLSHNGFJKIX-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[4-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 131503753
2-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-2-amine
CID 82291393
2-(1-bromo-2-methylpropan-2-yl)-1-methoxy-4-propan-2-ylbenzene
CID 82094101
3-bromo-1-[4-methoxy-3-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860852
2-(2-methoxy-5-propan-2-ylphenyl)propane-1,2-diamine
CID 23198486
1-[4-methoxy-3-(trifluoromethyl)phenyl]butane-1,2,4-triol
CID 171873170
1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene
CID 90878179
2-hydroxy-2-(2-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 82117037
4-ethoxy-1-methoxy-2-(trifluoromethyl)benzene
CID 175522284
5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
CID 134259779
4-[4-methoxy-3-(trifluoromethyl)phenyl]aniline
CID 166784771
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene (CID 22952870) is 1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene is COc1ccc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of 1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is GOKQLSHNGFJKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14/h4-7H,1-3H3.
What are the key properties of 1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene?
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 218.22 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 22952870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).