3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol

C13H13NOS — CID 165477685

IUPAC3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol
SMILESOc1cccc(C2NCCc3sccc32)c1
InChIInChI=1S/C13H13NOS/c15-10-3-1-2-9(8-10)13-11-5-7-16-12(11)4-6-14-13/h1-3,5,7-8,13-15H,4,6H2
InChIKeyJEKRBOOLABEXKU-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.69
Rot. Bonds1

About 3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol

3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol (PubChem CID 165477685) has the molecular formula C13H13NOS and a molecular weight of 231.32 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol
PubChem CID165477685
Molecular FormulaC13H13NOS
Molecular Weight231.32 g/mol
Exact Mass231.07
IUPAC Name3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol
SMILESOc1cccc(C2NCCc3sccc32)c1
InChIInChI=1S/C13H13NOS/c15-10-3-1-2-9(8-10)13-11-5-7-16-12(11)4-6-14-13/h1-3,5,7-8,13-15H,4,6H2
InChIKeyJEKRBOOLABEXKU-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol?
The IUPAC name of 3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol (CID 165477685) is 3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol.
What is the SMILES notation for 3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol?
The canonical SMILES for 3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol is Oc1cccc(C2NCCc3sccc32)c1.
What is the InChIKey of 3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol?
The InChIKey is JEKRBOOLABEXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NOS/c15-10-3-1-2-9(8-10)13-11-5-7-16-12(11)4-6-14-13/h1-3,5,7-8,13-15H,4,6H2.
What are the key properties of 3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol?
3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol has a molecular weight of 231.32 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-4-yl)phenol is sourced from PubChem (CID 165477685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).