2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol

C11H13F3O2 — CID 118535521

IUPAC2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
SMILESCc1cc(C(C)(O)C(F)(F)F)c(C)cc1O
InChIInChI=1S/C11H13F3O2/c1-6-5-9(15)7(2)4-8(6)10(3,16)11(12,13)14/h4-5,15-16H,1-3H3
InChIKeyAKDMNUIGBCUMGC-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.78
Rot. Bonds1

About 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol

2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol (PubChem CID 118535521) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
PubChem CID118535521
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol
SMILESCc1cc(C(C)(O)C(F)(F)F)c(C)cc1O
InChIInChI=1S/C11H13F3O2/c1-6-5-9(15)7(2)4-8(6)10(3,16)11(12,13)14/h4-5,15-16H,1-3H3
InChIKeyAKDMNUIGBCUMGC-UHFFFAOYSA-N
XLogP2.78
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
The IUPAC name of 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol (CID 118535521) is 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol is Cc1cc(C(C)(O)C(F)(F)F)c(C)cc1O.
What is the InChIKey of 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
The InChIKey is AKDMNUIGBCUMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-6-5-9(15)7(2)4-8(6)10(3,16)11(12,13)14/h4-5,15-16H,1-3H3.
What are the key properties of 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol?
2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol has a molecular weight of 234.22 g/mol, XLogP of 2.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 118535521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).