1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene

C12H15F3O2 — CID 166607829

IUPAC1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
SMILESCOc1cc(OC(C)(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-11(2,3)17-10-6-8(12(13,14)15)5-9(7-10)16-4/h5-7H,1-4H3
InChIKeyDKCXXJKWXZYOOB-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.89
Rot. Bonds2

About 1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene

1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene (PubChem CID 166607829) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
PubChem CID166607829
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene
SMILESCOc1cc(OC(C)(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F3O2/c1-11(2,3)17-10-6-8(12(13,14)15)5-9(7-10)16-4/h5-7H,1-4H3
InChIKeyDKCXXJKWXZYOOB-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene?
The IUPAC name of 1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene (CID 166607829) is 1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene is COc1cc(OC(C)(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of 1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene?
The InChIKey is DKCXXJKWXZYOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-11(2,3)17-10-6-8(12(13,14)15)5-9(7-10)16-4/h5-7H,1-4H3.
What are the key properties of 1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene?
1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene has a molecular weight of 248.24 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)benzene is sourced from PubChem (CID 166607829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).