2-(5-tert-butyl-2-fluorophenyl)propan-2-ol

C13H19FO — CID 155202615

IUPAC2-(5-tert-butyl-2-fluorophenyl)propan-2-ol
SMILESCC(C)(C)c1ccc(F)c(C(C)(C)O)c1
InChIInChI=1S/C13H19FO/c1-12(2,3)9-6-7-11(14)10(8-9)13(4,5)15/h6-8,15H,1-5H3
InChIKeyJYSSUJSQRGXAIU-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.35
Rot. Bonds1

About 2-(5-tert-butyl-2-fluorophenyl)propan-2-ol

2-(5-tert-butyl-2-fluorophenyl)propan-2-ol (PubChem CID 155202615) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(5-tert-butyl-2-fluorophenyl)propan-2-ol
PubChem CID155202615
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-(5-tert-butyl-2-fluorophenyl)propan-2-ol
SMILESCC(C)(C)c1ccc(F)c(C(C)(C)O)c1
InChIInChI=1S/C13H19FO/c1-12(2,3)9-6-7-11(14)10(8-9)13(4,5)15/h6-8,15H,1-5H3
InChIKeyJYSSUJSQRGXAIU-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-fluorophenyl)propan-2-ol?
The IUPAC name of 2-(5-tert-butyl-2-fluorophenyl)propan-2-ol (CID 155202615) is 2-(5-tert-butyl-2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 2-(5-tert-butyl-2-fluorophenyl)propan-2-ol?
The canonical SMILES for 2-(5-tert-butyl-2-fluorophenyl)propan-2-ol is CC(C)(C)c1ccc(F)c(C(C)(C)O)c1.
What is the InChIKey of 2-(5-tert-butyl-2-fluorophenyl)propan-2-ol?
The InChIKey is JYSSUJSQRGXAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-12(2,3)9-6-7-11(14)10(8-9)13(4,5)15/h6-8,15H,1-5H3.
What are the key properties of 2-(5-tert-butyl-2-fluorophenyl)propan-2-ol?
2-(5-tert-butyl-2-fluorophenyl)propan-2-ol has a molecular weight of 210.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 155202615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).