4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol

C19H18FNOS — CID 118903730

IUPAC4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol
SMILESOCCCCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H18FNOS/c20-16-6-4-15(5-7-16)19-18(14-8-10-21-11-9-14)13-17(23-19)3-1-2-12-22/h4-11,13,22H,1-3,12H2
InChIKeyLKIWJMXFMHVFMD-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.93
Rot. Bonds6

About 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol

4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol (PubChem CID 118903730) has the molecular formula C19H18FNOS and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol
PubChem CID118903730
Molecular FormulaC19H18FNOS
Molecular Weight327.42 g/mol
Exact Mass327.11
IUPAC Name4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol
SMILESOCCCCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H18FNOS/c20-16-6-4-15(5-7-16)19-18(14-8-10-21-11-9-14)13-17(23-19)3-1-2-12-22/h4-11,13,22H,1-3,12H2
InChIKeyLKIWJMXFMHVFMD-UHFFFAOYSA-N
XLogP4.93
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.93
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-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol (CID 118903730) is 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol is OCCCCc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol?
The InChIKey is LKIWJMXFMHVFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNOS/c20-16-6-4-15(5-7-16)19-18(14-8-10-21-11-9-14)13-17(23-19)3-1-2-12-22/h4-11,13,22H,1-3,12H2.
What are the key properties of 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol?
4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol has a molecular weight of 327.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol is sourced from PubChem (CID 118903730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).