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

C22H15NO2 — CID 122183825

IUPAC3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2C3)c1
InChIInChI=1S/C22H15NO2/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
InChIKeyRVGLATTWEIBXBE-UHFFFAOYSA-N
MW325.37 g/mol
LogP5.29
Rot. Bonds2

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

3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol (PubChem CID 122183825) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
PubChem CID122183825
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2C3)c1
InChIInChI=1S/C22H15NO2/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
InChIKeyRVGLATTWEIBXBE-UHFFFAOYSA-N
XLogP5.29
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.37
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
The IUPAC name of 3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol (CID 122183825) is 3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol.
What is the SMILES notation for 3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
The canonical SMILES for 3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol is Oc1cccc(-c2cc(-c3ccoc3)c3c(n2)-c2ccccc2C3)c1.
What is the InChIKey of 3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
The InChIKey is RVGLATTWEIBXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/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-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol?
3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol has a molecular weight of 325.37 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-3-yl)-5H-indeno[1,2-b]pyridin-2-yl]phenol is sourced from PubChem (CID 122183825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).