2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride

C15H18ClNOS — CID 3041278

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride
SMILESCl.OC(CN1CCc2sccc2C1)c1ccccc1
InChIInChI=1S/C15H17NOS.ClH/c17-14(12-4-2-1-3-5-12)11-16-8-6-15-13(10-16)7-9-18-15;/h1-5,7,9,14,17H,6,8,10-11H2;1H
InChIKeyACGQXXFERIKZRY-UHFFFAOYSA-N
MW295.83 g/mol
LogP3.26
Rot. Bonds3

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride (PubChem CID 3041278) has the molecular formula C15H18ClNOS and a molecular weight of 295.83 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride
PubChem CID3041278
Molecular FormulaC15H18ClNOS
Molecular Weight295.83 g/mol
Exact Mass295.08
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride
SMILESCl.OC(CN1CCc2sccc2C1)c1ccccc1
InChIInChI=1S/C15H17NOS.ClH/c17-14(12-4-2-1-3-5-12)11-16-8-6-15-13(10-16)7-9-18-15;/h1-5,7,9,14,17H,6,8,10-11H2;1H
InChIKeyACGQXXFERIKZRY-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride (CID 3041278) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride is Cl.OC(CN1CCc2sccc2C1)c1ccccc1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride?
The InChIKey is ACGQXXFERIKZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS.ClH/c17-14(12-4-2-1-3-5-12)11-16-8-6-15-13(10-16)7-9-18-15;/h1-5,7,9,14,17H,6,8,10-11H2;1H.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride has a molecular weight of 295.83 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylethanol;hydrochloride is sourced from PubChem (CID 3041278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).