3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol

C24H17NO2 — CID 122188409

IUPAC3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)nc3c2COc2ccccc2-3)c1
InChIInChI=1S/C24H17NO2/c26-18-10-6-9-17(13-18)20-14-22(16-7-2-1-3-8-16)25-24-19-11-4-5-12-23(19)27-15-21(20)24/h1-14,26H,15H2
InChIKeyBECWFWHPTBQNJE-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.68
Rot. Bonds2

About 3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol

3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol (PubChem CID 122188409) has the molecular formula C24H17NO2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol.

Molecular Properties

Compound Name3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
PubChem CID122188409
Molecular FormulaC24H17NO2
Molecular Weight351.41 g/mol
Exact Mass351.13
IUPAC Name3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)nc3c2COc2ccccc2-3)c1
InChIInChI=1S/C24H17NO2/c26-18-10-6-9-17(13-18)20-14-22(16-7-2-1-3-8-16)25-24-19-11-4-5-12-23(19)27-15-21(20)24/h1-14,26H,15H2
InChIKeyBECWFWHPTBQNJE-UHFFFAOYSA-N
XLogP5.68
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The IUPAC name of 3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol (CID 122188409) is 3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol.
What is the SMILES notation for 3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The canonical SMILES for 3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol is Oc1cccc(-c2cc(-c3ccccc3)nc3c2COc2ccccc2-3)c1.
What is the InChIKey of 3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
The InChIKey is BECWFWHPTBQNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO2/c26-18-10-6-9-17(13-18)20-14-22(16-7-2-1-3-8-16)25-24-19-11-4-5-12-23(19)27-15-21(20)24/h1-14,26H,15H2.
What are the key properties of 3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol?
3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol has a molecular weight of 351.41 g/mol, XLogP of 5.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenyl-5H-chromeno[4,3-b]pyridin-4-yl)phenol is sourced from PubChem (CID 122188409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).