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

C21H28FNO — CID 22005204

IUPAC[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol
SMILESCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C21H28FNO/c1-6-7-17-19(15-8-10-16(22)11-9-15)18(12-24)21(14(4)5)23-20(17)13(2)3/h8-11,13-14,24H,6-7,12H2,1-5H3
InChIKeyCGERYLIZDURBOY-UHFFFAOYSA-N
MW329.46 g/mol
LogP5.58
Rot. Bonds6

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

[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol (PubChem CID 22005204) has the molecular formula C21H28FNO and a molecular weight of 329.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol
PubChem CID22005204
Molecular FormulaC21H28FNO
Molecular Weight329.46 g/mol
Exact Mass329.22
IUPAC Name[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol
SMILESCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C21H28FNO/c1-6-7-17-19(15-8-10-16(22)11-9-15)18(12-24)21(14(4)5)23-20(17)13(2)3/h8-11,13-14,24H,6-7,12H2,1-5H3
InChIKeyCGERYLIZDURBOY-UHFFFAOYSA-N
XLogP5.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.46
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol (CID 22005204) is [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol is CCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol?
The InChIKey is CGERYLIZDURBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO/c1-6-7-17-19(15-8-10-16(22)11-9-15)18(12-24)21(14(4)5)23-20(17)13(2)3/h8-11,13-14,24H,6-7,12H2,1-5H3.
What are the key properties of [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol has a molecular weight of 329.46 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-propyl-3-pyridinyl]methanol is sourced from PubChem (CID 22005204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).