[4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol

C23H32FNO2 — CID 22004989

IUPAC[4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)OC)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C23H32FNO2/c1-6-7-8-9-19-21(17-10-12-18(24)13-11-17)20(14-26)22(15(2)3)25-23(19)16(4)27-5/h10-13,15-16,26H,6-9,14H2,1-5H3
InChIKeyZVNRPAGPMHWNTK-UHFFFAOYSA-N
MW373.51 g/mol
LogP5.94
Rot. Bonds9

About [4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol

[4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol (PubChem CID 22004989) has the molecular formula C23H32FNO2 and a molecular weight of 373.51 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol
PubChem CID22004989
Molecular FormulaC23H32FNO2
Molecular Weight373.51 g/mol
Exact Mass373.24
IUPAC Name[4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol
SMILESCCCCCc1c(C(C)OC)nc(C(C)C)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C23H32FNO2/c1-6-7-8-9-19-21(17-10-12-18(24)13-11-17)20(14-26)22(15(2)3)25-23(19)16(4)27-5/h10-13,15-16,26H,6-9,14H2,1-5H3
InChIKeyZVNRPAGPMHWNTK-UHFFFAOYSA-N
XLogP5.94
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol (CID 22004989) is [4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol is CCCCCc1c(C(C)OC)nc(C(C)C)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol?
The InChIKey is ZVNRPAGPMHWNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FNO2/c1-6-7-8-9-19-21(17-10-12-18(24)13-11-17)20(14-26)22(15(2)3)25-23(19)16(4)27-5/h10-13,15-16,26H,6-9,14H2,1-5H3.
What are the key properties of [4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol has a molecular weight of 373.51 g/mol, XLogP of 5.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-6-(1-methoxyethyl)-5-pentyl-2-propan-2-yl-3-pyridinyl]methanol is sourced from PubChem (CID 22004989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).