3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol

C18H12FNOS — CID 118903750

IUPAC3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H12FNOS/c19-15-5-3-14(4-6-15)18-17(13-7-9-20-10-8-13)12-16(22-18)2-1-11-21/h3-10,12,21H,11H2
InChIKeyFQUSRDXLVZWQST-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.96
Rot. Bonds2

About 3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol

3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol (PubChem CID 118903750) has the molecular formula C18H12FNOS and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol
PubChem CID118903750
Molecular FormulaC18H12FNOS
Molecular Weight309.37 g/mol
Exact Mass309.06
IUPAC Name3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H12FNOS/c19-15-5-3-14(4-6-15)18-17(13-7-9-20-10-8-13)12-16(22-18)2-1-11-21/h3-10,12,21H,11H2
InChIKeyFQUSRDXLVZWQST-UHFFFAOYSA-N
XLogP3.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol (CID 118903750) is 3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol is OCC#Cc1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol?
The InChIKey is FQUSRDXLVZWQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNOS/c19-15-5-3-14(4-6-15)18-17(13-7-9-20-10-8-13)12-16(22-18)2-1-11-21/h3-10,12,21H,11H2.
What are the key properties of 3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol?
3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol has a molecular weight of 309.37 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 118903750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).