[2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol

C22H22FNO — CID 15099537

IUPAC[2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol
SMILESCC(C)(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C22H22FNO/c1-22(2,3)21-19(14-25)18(15-9-11-17(23)12-10-15)13-20(24-21)16-7-5-4-6-8-16/h4-13,25H,14H2,1-3H3
InChIKeyKULDKLVGCNBMDB-UHFFFAOYSA-N
MW335.42 g/mol
LogP5.34
Rot. Bonds3

About [2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol

[2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol (PubChem CID 15099537) has the molecular formula C22H22FNO and a molecular weight of 335.42 g/mol. Its IUPAC name is [2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol
PubChem CID15099537
Molecular FormulaC22H22FNO
Molecular Weight335.42 g/mol
Exact Mass335.17
IUPAC Name[2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol
SMILESCC(C)(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C22H22FNO/c1-22(2,3)21-19(14-25)18(15-9-11-17(23)12-10-15)13-20(24-21)16-7-5-4-6-8-16/h4-13,25H,14H2,1-3H3
InChIKeyKULDKLVGCNBMDB-UHFFFAOYSA-N
XLogP5.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.42
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol?
The IUPAC name of [2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol (CID 15099537) is [2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol?
The canonical SMILES for [2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol is CC(C)(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol?
The InChIKey is KULDKLVGCNBMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO/c1-22(2,3)21-19(14-25)18(15-9-11-17(23)12-10-15)13-20(24-21)16-7-5-4-6-8-16/h4-13,25H,14H2,1-3H3.
What are the key properties of [2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol?
[2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol has a molecular weight of 335.42 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-4-(4-fluorophenyl)-6-phenyl-3-pyridinyl]methanol is sourced from PubChem (CID 15099537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).