2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

C11H13F3O2 — CID 70690875

IUPAC2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESCC(C)c1cc(C(O)C(F)(F)F)ccc1O
InChIInChI=1S/C11H13F3O2/c1-6(2)8-5-7(3-4-9(8)15)10(16)11(12,13)14/h3-6,10,15-16H,1-2H3
InChIKeyUVTLKMSIFPENPV-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.11
Rot. Bonds2

About 2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (PubChem CID 70690875) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
PubChem CID70690875
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESCC(C)c1cc(C(O)C(F)(F)F)ccc1O
InChIInChI=1S/C11H13F3O2/c1-6(2)8-5-7(3-4-9(8)15)10(16)11(12,13)14/h3-6,10,15-16H,1-2H3
InChIKeyUVTLKMSIFPENPV-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CID 70690875) is 2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is CC(C)c1cc(C(O)C(F)(F)F)ccc1O.
What is the InChIKey of 2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The InChIKey is UVTLKMSIFPENPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-6(2)8-5-7(3-4-9(8)15)10(16)11(12,13)14/h3-6,10,15-16H,1-2H3.
What are the key properties of 2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol has a molecular weight of 234.22 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 70690875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).