1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol

C24H34FNO — CID 22004872

IUPAC1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1
InChIInChI=1S/C24H34FNO/c1-7-8-9-10-20-22(18-11-13-19(25)14-12-18)21(17(6)27)24(16(4)5)26-23(20)15(2)3/h11-17,27H,7-10H2,1-6H3
InChIKeyPTKPSYLXJIYGGX-UHFFFAOYSA-N
MW371.54 g/mol
LogP6.92
Rot. Bonds8

About 1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol

1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol (PubChem CID 22004872) has the molecular formula C24H34FNO and a molecular weight of 371.54 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol
PubChem CID22004872
Molecular FormulaC24H34FNO
Molecular Weight371.54 g/mol
Exact Mass371.26
IUPAC Name1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol
SMILESCCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1
InChIInChI=1S/C24H34FNO/c1-7-8-9-10-20-22(18-11-13-19(25)14-12-18)21(17(6)27)24(16(4)5)26-23(20)15(2)3/h11-17,27H,7-10H2,1-6H3
InChIKeyPTKPSYLXJIYGGX-UHFFFAOYSA-N
XLogP6.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.54
LogP ≤ 56.92
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol (CID 22004872) is 1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol is CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol?
The InChIKey is PTKPSYLXJIYGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34FNO/c1-7-8-9-10-20-22(18-11-13-19(25)14-12-18)21(17(6)27)24(16(4)5)26-23(20)15(2)3/h11-17,27H,7-10H2,1-6H3.
What are the key properties of 1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol?
1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol has a molecular weight of 371.54 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 22004872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).