2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

C14H19F3O2 — CID 23653577

IUPAC2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESCC(C)c1cc(C(O)C(F)(F)F)cc(C(C)C)c1O
InChIInChI=1S/C14H19F3O2/c1-7(2)10-5-9(13(19)14(15,16)17)6-11(8(3)4)12(10)18/h5-8,13,18-19H,1-4H3
InChIKeySMLUXCFUBRRWFN-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.23
Rot. Bonds3

About 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (PubChem CID 23653577) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
PubChem CID23653577
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESCC(C)c1cc(C(O)C(F)(F)F)cc(C(C)C)c1O
InChIInChI=1S/C14H19F3O2/c1-7(2)10-5-9(13(19)14(15,16)17)6-11(8(3)4)12(10)18/h5-8,13,18-19H,1-4H3
InChIKeySMLUXCFUBRRWFN-UHFFFAOYSA-N
XLogP4.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)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 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CID 23653577) is 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is CC(C)c1cc(C(O)C(F)(F)F)cc(C(C)C)c1O.
What is the InChIKey of 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The InChIKey is SMLUXCFUBRRWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-7(2)10-5-9(13(19)14(15,16)17)6-11(8(3)4)12(10)18/h5-8,13,18-19H,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol has a molecular weight of 276.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 23653577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).