1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol

C24H20FNOS — CID 118911858

IUPAC1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1csc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C24H20FNOS/c25-20-9-7-19(8-10-20)24-23(18-12-14-26-15-13-18)21(16-28-24)22(27)11-6-17-4-2-1-3-5-17/h1-5,7-10,12-16,22,27H,6,11H2
InChIKeyBAIBIFBKWJCOPT-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.28
Rot. Bonds6

About 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol

1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol (PubChem CID 118911858) has the molecular formula C24H20FNOS and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol
PubChem CID118911858
Molecular FormulaC24H20FNOS
Molecular Weight389.50 g/mol
Exact Mass389.12
IUPAC Name1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)c1csc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C24H20FNOS/c25-20-9-7-19(8-10-20)24-23(18-12-14-26-15-13-18)21(16-28-24)22(27)11-6-17-4-2-1-3-5-17/h1-5,7-10,12-16,22,27H,6,11H2
InChIKeyBAIBIFBKWJCOPT-UHFFFAOYSA-N
XLogP6.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzothiophen-2-yl-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56672374
Pyridin-3-yl(thiophen-2-yl)methanol
CID 650499
2-Thiophenemethanol, 5-(3-pyridinyl)-
CID 11816351
N-[(2-fluoro-4-pyridinyl)methyl]-N-[3-(1-hydroxyethyl)-1-benzothiophen-2-yl]ethanesulfonamide
CID 66907258
4-[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]butan-1-ol
CID 118903730
4-[5-(4-Fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol
CID 118911850
4-[2-(4-Fluorophenyl)-4-(3-phenylpropyl)thiophen-3-yl]pyridine
CID 118911859
4-[3,5-Bis(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]but-3-yn-1-ol
CID 118911866
5-[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pent-4-yn-1-ol
CID 118911900
Isoquinolin-1-yl(thiophen-2-yl)methanol
CID 2999753
1-(Pyridin-3-yl)-2-(thiophen-2-yl)propan-2-ol
CID 238325
(4-Fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol
CID 46942575

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol?
The IUPAC name of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol (CID 118911858) is 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol?
The canonical SMILES for 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol is OC(CCc1ccccc1)c1csc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol?
The InChIKey is BAIBIFBKWJCOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNOS/c25-20-9-7-19(8-10-20)24-23(18-12-14-26-15-13-18)21(16-28-24)22(27)11-6-17-4-2-1-3-5-17/h1-5,7-10,12-16,22,27H,6,11H2.
What are the key properties of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol?
1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol has a molecular weight of 389.50 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 118911858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).