4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol

C15H16FNO — CID 136601832

IUPAC4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol
SMILESCC(C)(C)c1ccc(O)c(-c2ccc(F)cn2)c1
InChIInChI=1S/C15H16FNO/c1-15(2,3)10-4-7-14(18)12(8-10)13-6-5-11(16)9-17-13/h4-9,18H,1-3H3
InChIKeyBMDOWOPVGFKBPH-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.89
Rot. Bonds1

About 4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol

4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol (PubChem CID 136601832) has the molecular formula C15H16FNO and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol
PubChem CID136601832
Molecular FormulaC15H16FNO
Molecular Weight245.30 g/mol
Exact Mass245.12
IUPAC Name4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol
SMILESCC(C)(C)c1ccc(O)c(-c2ccc(F)cn2)c1
InChIInChI=1S/C15H16FNO/c1-15(2,3)10-4-7-14(18)12(8-10)13-6-5-11(16)9-17-13/h4-9,18H,1-3H3
InChIKeyBMDOWOPVGFKBPH-UHFFFAOYSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol?
The IUPAC name of 4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol (CID 136601832) is 4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol.
What is the SMILES notation for 4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol?
The canonical SMILES for 4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol is CC(C)(C)c1ccc(O)c(-c2ccc(F)cn2)c1.
What is the InChIKey of 4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol?
The InChIKey is BMDOWOPVGFKBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO/c1-15(2,3)10-4-7-14(18)12(8-10)13-6-5-11(16)9-17-13/h4-9,18H,1-3H3.
What are the key properties of 4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol?
4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol has a molecular weight of 245.30 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(5-fluoro-2-pyridinyl)phenol is sourced from PubChem (CID 136601832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).