[4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol

C24H34FNO — CID 22005015

IUPAC[4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C24H34FNO/c1-6-7-8-9-10-20-22(18-11-13-19(25)14-12-18)21(15-27)24(17(4)5)26-23(20)16(2)3/h11-14,16-17,27H,6-10,15H2,1-5H3
InChIKeyXLGVIPRRJYUYBR-UHFFFAOYSA-N
MW371.54 g/mol
LogP6.75
Rot. Bonds9

About [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol

[4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (PubChem CID 22005015) has the molecular formula C24H34FNO and a molecular weight of 371.54 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
PubChem CID22005015
Molecular FormulaC24H34FNO
Molecular Weight371.54 g/mol
Exact Mass371.26
IUPAC Name[4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
SMILESCCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C24H34FNO/c1-6-7-8-9-10-20-22(18-11-13-19(25)14-12-18)21(15-27)24(17(4)5)26-23(20)16(2)3/h11-14,16-17,27H,6-10,15H2,1-5H3
InChIKeyXLGVIPRRJYUYBR-UHFFFAOYSA-N
XLogP6.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.54
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-p-tolyl-methanol
CID 9882188
(+)-(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
(S)-4-cyclohexyl-3-((S)-fluoro(4-(trifluoromethyl)phenyl)methyl)-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
CID 11554734
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-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

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol (CID 22005015) is [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is CCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
The InChIKey is XLGVIPRRJYUYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO/c1-6-7-8-9-10-20-22(18-11-13-19(25)14-12-18)21(15-27)24(17(4)5)26-23(20)16(2)3/h11-14,16-17,27H,6-10,15H2,1-5H3.
What are the key properties of [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol has a molecular weight of 371.54 g/mol, XLogP of 6.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-5-hexyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 22005015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).