1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol

C17H17NOS — CID 105083237

IUPAC1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol
SMILESOC(CCc1ccncc1)Cc1csc2ccccc12
InChIInChI=1S/C17H17NOS/c19-15(6-5-13-7-9-18-10-8-13)11-14-12-20-17-4-2-1-3-16(14)17/h1-4,7-10,12,15,19H,5-6,11H2
InChIKeyXKCWAXXPAZFWEB-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.83
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol

1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol (PubChem CID 105083237) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol
PubChem CID105083237
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol
SMILESOC(CCc1ccncc1)Cc1csc2ccccc12
InChIInChI=1S/C17H17NOS/c19-15(6-5-13-7-9-18-10-8-13)11-14-12-20-17-4-2-1-3-16(14)17/h1-4,7-10,12,15,19H,5-6,11H2
InChIKeyXKCWAXXPAZFWEB-UHFFFAOYSA-N
XLogP3.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-4-(dimethylamino)butan-2-ol
CID 113291149
1-(1-benzothiophen-3-yl)-3-thiophen-3-ylpropan-2-ol
CID 105083372
1-(1-benzothiophen-3-yl)-3-methoxypropan-2-ol
CID 63739171
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 63738831
1-(1-benzothiophen-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-ol
CID 63737758
1-(1-benzothiophen-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-ol
CID 63737757
2-(1-benzothiophen-3-yl)-1-pyrazin-2-ylethanol
CID 63738461
1-(5-ethylthiophen-2-yl)-4-pyridin-4-ylbutan-2-ol
CID 105087600
3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
5-(1-benzothiophen-3-yl)pentan-2-ol
CID 64516739
2-(1-benzothiophen-3-yl)-1-(2-ethylphenyl)ethanol
CID 65150146

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol (CID 105083237) is 1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol is OC(CCc1ccncc1)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol?
The InChIKey is XKCWAXXPAZFWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c19-15(6-5-13-7-9-18-10-8-13)11-14-12-20-17-4-2-1-3-16(14)17/h1-4,7-10,12,15,19H,5-6,11H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol?
1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol has a molecular weight of 283.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-4-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 105083237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).