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

C19H24FNO — CID 15099533

IUPAC[6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol
SMILESCC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H24FNO/c1-12(2)18-16(11-22)15(10-17(21-18)19(3,4)5)13-6-8-14(20)9-7-13/h6-10,12,22H,11H2,1-5H3
InChIKeyFTJVOVWBKWFAKJ-UHFFFAOYSA-N
MW301.40 g/mol
LogP4.80
Rot. Bonds3

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

[6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol (PubChem CID 15099533) has the molecular formula C19H24FNO and a molecular weight of 301.40 g/mol. Its IUPAC name is [6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol
PubChem CID15099533
Molecular FormulaC19H24FNO
Molecular Weight301.40 g/mol
Exact Mass301.18
IUPAC Name[6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol
SMILESCC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C19H24FNO/c1-12(2)18-16(11-22)15(10-17(21-18)19(3,4)5)13-6-8-14(20)9-7-13/h6-10,12,22H,11H2,1-5H3
InChIKeyFTJVOVWBKWFAKJ-UHFFFAOYSA-N
XLogP4.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+)-(1R)-1-[4-(4-fluorophenyl)-2,6-diisopropyl-5-propylpyridin-3-yl]ethanol
CID 9906120
(+)-2,6-Diisopropyl-3-(1-hydroxyethyl)-4-(4-fluorophenyl)-5-propylpyridine
CID 11186974
1-[4-(4-Fluoro-phenyl)-2,6-diisopropyl-5-pentyl-pyridin-3-yl]-ethanol
CID 22004872
(2,6-Diisopropyl-5-pentyl-4-p-tolyl-pyridin-3-yl)-methanol
CID 22004877
[5-Ethyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22004918
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-pentylpyridine
CID 22004955
1-[4-(4-Fluoro-phenyl)-5-hexyl-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22004988
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-hexylpyridine
CID 22005015
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-heptylpyridine
CID 22005069
[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-methanol
CID 22005107
2,6-Diisopropyl-3-hydroxymethyl-4-(4-fluorophenyl)-5-propylpyridine
CID 22005204
1-[5-Butyl-4-(4-fluoro-phenyl)-2,6-diisopropyl-pyridin-3-yl]-ethanol
CID 22005250

Frequently Asked Questions

What is the IUPAC name of [6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol?
The IUPAC name of [6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol (CID 15099533) is [6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol.
What is the SMILES notation for [6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol?
The canonical SMILES for [6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol is CC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol?
The InChIKey is FTJVOVWBKWFAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO/c1-12(2)18-16(11-22)15(10-17(21-18)19(3,4)5)13-6-8-14(20)9-7-13/h6-10,12,22H,11H2,1-5H3.
What are the key properties of [6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol?
[6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol has a molecular weight of 301.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-tert-butyl-4-(4-fluorophenyl)-2-propan-2-yl-3-pyridinyl]methanol is sourced from PubChem (CID 15099533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).