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

C16H20ClNOS — CID 3041290

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride
SMILESCC(C(O)c1ccccc1)N1CCc2sccc2C1.Cl
InChIInChI=1S/C16H19NOS.ClH/c1-12(16(18)13-5-3-2-4-6-13)17-9-7-15-14(11-17)8-10-19-15;/h2-6,8,10,12,16,18H,7,9,11H2,1H3;1H
InChIKeyYQNVHVDGVIPMFA-UHFFFAOYSA-N
MW309.86 g/mol
LogP3.65
Rot. Bonds3

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride (PubChem CID 3041290) has the molecular formula C16H20ClNOS and a molecular weight of 309.86 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride
PubChem CID3041290
Molecular FormulaC16H20ClNOS
Molecular Weight309.86 g/mol
Exact Mass309.10
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride
SMILESCC(C(O)c1ccccc1)N1CCc2sccc2C1.Cl
InChIInChI=1S/C16H19NOS.ClH/c1-12(16(18)13-5-3-2-4-6-13)17-9-7-15-14(11-17)8-10-19-15;/h2-6,8,10,12,16,18H,7,9,11H2,1H3;1H
InChIKeyYQNVHVDGVIPMFA-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.86
LogP ≤ 53.65
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-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride (CID 3041290) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride is CC(C(O)c1ccccc1)N1CCc2sccc2C1.Cl.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is YQNVHVDGVIPMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS.ClH/c1-12(16(18)13-5-3-2-4-6-13)17-9-7-15-14(11-17)8-10-19-15;/h2-6,8,10,12,16,18H,7,9,11H2,1H3;1H.
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 309.86 g/mol, XLogP of 3.65, 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-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3041290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).