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

C17H20ClNOS — CID 56971148

IUPAC4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol
SMILESOCCCC(c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C17H20ClNOS/c18-15-5-2-1-4-14(15)16(6-3-10-20)19-9-7-17-13(12-19)8-11-21-17/h1-2,4-5,8,11,16,20H,3,6-7,9-10,12H2
InChIKeyAUDIRCSLRJCVLZ-UHFFFAOYSA-N
MW321.87 g/mol
LogP4.27
Rot. Bonds5

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

4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol (PubChem CID 56971148) has the molecular formula C17H20ClNOS and a molecular weight of 321.87 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol
PubChem CID56971148
Molecular FormulaC17H20ClNOS
Molecular Weight321.87 g/mol
Exact Mass321.10
IUPAC Name4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol
SMILESOCCCC(c1ccccc1Cl)N1CCc2sccc2C1
InChIInChI=1S/C17H20ClNOS/c18-15-5-2-1-4-14(15)16(6-3-10-20)19-9-7-17-13(12-19)8-11-21-17/h1-2,4-5,8,11,16,20H,3,6-7,9-10,12H2
InChIKeyAUDIRCSLRJCVLZ-UHFFFAOYSA-N
XLogP4.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol?
The IUPAC name of 4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol (CID 56971148) is 4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol.
What is the SMILES notation for 4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol?
The canonical SMILES for 4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol is OCCCC(c1ccccc1Cl)N1CCc2sccc2C1.
What is the InChIKey of 4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol?
The InChIKey is AUDIRCSLRJCVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNOS/c18-15-5-2-1-4-14(15)16(6-3-10-20)19-9-7-17-13(12-19)8-11-21-17/h1-2,4-5,8,11,16,20H,3,6-7,9-10,12H2.
What are the key properties of 4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol?
4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol has a molecular weight of 321.87 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butan-1-ol is sourced from PubChem (CID 56971148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).