4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol

C23H14ClNO2 — CID 136661237

IUPAC4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C23H14ClNO2/c24-16-9-5-15(6-10-16)20-13-19(14-7-11-17(26)12-8-14)23-22(25-20)18-3-1-2-4-21(18)27-23/h1-13,26H
InChIKeyCEVZLXLURPNUOG-UHFFFAOYSA-N
MW371.82 g/mol
LogP6.67
Rot. Bonds2

About 4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol

4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol (PubChem CID 136661237) has the molecular formula C23H14ClNO2 and a molecular weight of 371.82 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol
PubChem CID136661237
Molecular FormulaC23H14ClNO2
Molecular Weight371.82 g/mol
Exact Mass371.07
IUPAC Name4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C23H14ClNO2/c24-16-9-5-15(6-10-16)20-13-19(14-7-11-17(26)12-8-14)23-22(25-20)18-3-1-2-4-21(18)27-23/h1-13,26H
InChIKeyCEVZLXLURPNUOG-UHFFFAOYSA-N
XLogP6.67
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.82
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol?
The IUPAC name of 4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol (CID 136661237) is 4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol?
The canonical SMILES for 4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol is Oc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol?
The InChIKey is CEVZLXLURPNUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClNO2/c24-16-9-5-15(6-10-16)20-13-19(14-7-11-17(26)12-8-14)23-22(25-20)18-3-1-2-4-21(18)27-23/h1-13,26H.
What are the key properties of 4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol?
4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol has a molecular weight of 371.82 g/mol, XLogP of 6.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenol is sourced from PubChem (CID 136661237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).