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

C23H32FNO — CID 22005250

IUPAC1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol
SMILESCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1
InChIInChI=1S/C23H32FNO/c1-7-8-9-19-21(17-10-12-18(24)13-11-17)20(16(6)26)23(15(4)5)25-22(19)14(2)3/h10-16,26H,7-9H2,1-6H3
InChIKeySGSPDHQGPCJISU-UHFFFAOYSA-N
MW357.51 g/mol
LogP6.53
Rot. Bonds7

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

1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol (PubChem CID 22005250) has the molecular formula C23H32FNO and a molecular weight of 357.51 g/mol. Its IUPAC name is 1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol
PubChem CID22005250
Molecular FormulaC23H32FNO
Molecular Weight357.51 g/mol
Exact Mass357.25
IUPAC Name1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol
SMILESCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1
InChIInChI=1S/C23H32FNO/c1-7-8-9-19-21(17-10-12-18(24)13-11-17)20(16(6)26)23(15(4)5)25-22(19)14(2)3/h10-16,26H,7-9H2,1-6H3
InChIKeySGSPDHQGPCJISU-UHFFFAOYSA-N
XLogP6.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.51
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol?
The IUPAC name of 1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol (CID 22005250) is 1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol is CCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1.
What is the InChIKey of 1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol?
The InChIKey is SGSPDHQGPCJISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FNO/c1-7-8-9-19-21(17-10-12-18(24)13-11-17)20(16(6)26)23(15(4)5)25-22(19)14(2)3/h10-16,26H,7-9H2,1-6H3.
What are the key properties of 1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol?
1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol has a molecular weight of 357.51 g/mol, XLogP of 6.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-butyl-4-(4-fluorophenyl)-2,6-di(propan-2-yl)-3-pyridinyl]ethanol is sourced from PubChem (CID 22005250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).