3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol

C22H15NOS — CID 73334913

IUPAC3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
SMILESOc1cccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)c1
InChIInChI=1S/C22H15NOS/c24-17-6-3-5-15(10-17)21-12-19(16-8-9-25-13-16)20-11-14-4-1-2-7-18(14)22(20)23-21/h1-10,12-13,24H,11H2
InChIKeySQIHXMJEWHKVEK-UHFFFAOYSA-N
MW341.44 g/mol
LogP5.75
Rot. Bonds2

About 3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol

3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol (PubChem CID 73334913) has the molecular formula C22H15NOS and a molecular weight of 341.44 g/mol. Its IUPAC name is 3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol.

Molecular Properties

Compound Name3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
PubChem CID73334913
Molecular FormulaC22H15NOS
Molecular Weight341.44 g/mol
Exact Mass341.09
IUPAC Name3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
SMILESOc1cccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)c1
InChIInChI=1S/C22H15NOS/c24-17-6-3-5-15(10-17)21-12-19(16-8-9-25-13-16)20-11-14-4-1-2-7-18(14)22(20)23-21/h1-10,12-13,24H,11H2
InChIKeySQIHXMJEWHKVEK-UHFFFAOYSA-N
XLogP5.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.44
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol?
The IUPAC name of 3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol (CID 73334913) is 3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol.
What is the SMILES notation for 3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol?
The canonical SMILES for 3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol is Oc1cccc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)c1.
What is the InChIKey of 3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol?
The InChIKey is SQIHXMJEWHKVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NOS/c24-17-6-3-5-15(10-17)21-12-19(16-8-9-25-13-16)20-11-14-4-1-2-7-18(14)22(20)23-21/h1-10,12-13,24H,11H2.
What are the key properties of 3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol?
3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol has a molecular weight of 341.44 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol is sourced from PubChem (CID 73334913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).