4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol

C10H11F3O2 — CID 84685342

IUPAC4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol
SMILESCC(C)(O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C10H11F3O2/c1-9(2,15)7-4-3-6(14)5-8(7)10(11,12)13/h3-5,14-15H,1-2H3
InChIKeyALYHXEMAKPLKDQ-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.64
Rot. Bonds1

About 4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol

4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol (PubChem CID 84685342) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol
PubChem CID84685342
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol
SMILESCC(C)(O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C10H11F3O2/c1-9(2,15)7-4-3-6(14)5-8(7)10(11,12)13/h3-5,14-15H,1-2H3
InChIKeyALYHXEMAKPLKDQ-UHFFFAOYSA-N
XLogP2.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol?
The IUPAC name of 4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol (CID 84685342) is 4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol is CC(C)(O)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol?
The InChIKey is ALYHXEMAKPLKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-9(2,15)7-4-3-6(14)5-8(7)10(11,12)13/h3-5,14-15H,1-2H3.
What are the key properties of 4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol?
4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol has a molecular weight of 220.19 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 84685342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).