1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol

C15H15NOS — CID 105108065

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol
SMILESOC(Cc1ccncc1)C1Cc2ccccc2S1
InChIInChI=1S/C15H15NOS/c17-13(9-11-5-7-16-8-6-11)15-10-12-3-1-2-4-14(12)18-15/h1-8,13,15,17H,9-10H2
InChIKeyYPUKZFDHJNQRHW-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.70
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol (PubChem CID 105108065) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol
PubChem CID105108065
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol
SMILESOC(Cc1ccncc1)C1Cc2ccccc2S1
InChIInChI=1S/C15H15NOS/c17-13(9-11-5-7-16-8-6-11)15-10-12-3-1-2-4-14(12)18-15/h1-8,13,15,17H,9-10H2
InChIKeyYPUKZFDHJNQRHW-UHFFFAOYSA-N
XLogP2.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 105089082
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105317497
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-2-ylethanol
CID 105106044
N-[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 105160573
2-(2,3-difluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105089674
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084269
2-cyclobutyl-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105100901
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105115717
2-(5-bromo-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105086657
1-(2,3-dihydro-1-benzothiophen-2-yl)undecan-1-ol
CID 105089949
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethanol
CID 105107239
1-cyclopropyl-2-pyridin-4-ylethanol
CID 63352817

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol (CID 105108065) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol is OC(Cc1ccncc1)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol?
The InChIKey is YPUKZFDHJNQRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-13(9-11-5-7-16-8-6-11)15-10-12-3-1-2-4-14(12)18-15/h1-8,13,15,17H,9-10H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol?
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol has a molecular weight of 257.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethanol is sourced from PubChem (CID 105108065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).