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

C15H16ClNOS — CID 3041309

IUPAC1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol
SMILESOC(CN1CCc2sccc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNOS/c16-13-3-1-11(2-4-13)14(18)10-17-7-5-15-12(9-17)6-8-19-15/h1-4,6,8,14,18H,5,7,9-10H2
InChIKeyVRHMMUAKTISEKV-UHFFFAOYSA-N
MW293.82 g/mol
LogP3.49
Rot. Bonds3

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

1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol (PubChem CID 3041309) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol
PubChem CID3041309
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol
SMILESOC(CN1CCc2sccc2C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNOS/c16-13-3-1-11(2-4-13)14(18)10-17-7-5-15-12(9-17)6-8-19-15/h1-4,6,8,14,18H,5,7,9-10H2
InChIKeyVRHMMUAKTISEKV-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol (CID 3041309) is 1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol is OC(CN1CCc2sccc2C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol?
The InChIKey is VRHMMUAKTISEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c16-13-3-1-11(2-4-13)14(18)10-17-7-5-15-12(9-17)6-8-19-15/h1-4,6,8,14,18H,5,7,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol?
1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol has a molecular weight of 293.82 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanol is sourced from PubChem (CID 3041309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).