4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol

C11H13F3O2 — CID 117339956

IUPAC4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
SMILESCC(C)(CO)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-10(2,6-15)8-4-3-7(16)5-9(8)11(12,13)14/h3-5,15-16H,6H2,1-2H3
InChIKeyXEZKYDUSBLRUIH-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.68
Rot. Bonds2

About 4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol

4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol (PubChem CID 117339956) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
PubChem CID117339956
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
SMILESCC(C)(CO)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C11H13F3O2/c1-10(2,6-15)8-4-3-7(16)5-9(8)11(12,13)14/h3-5,15-16H,6H2,1-2H3
InChIKeyXEZKYDUSBLRUIH-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol?
The IUPAC name of 4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol (CID 117339956) is 4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol is CC(C)(CO)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol?
The InChIKey is XEZKYDUSBLRUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-10(2,6-15)8-4-3-7(16)5-9(8)11(12,13)14/h3-5,15-16H,6H2,1-2H3.
What are the key properties of 4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol?
4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol has a molecular weight of 234.22 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 117339956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).