4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol

C24H17NO3 — CID 46702565

IUPAC4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESOc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C24H17NO3/c26-18-11-12-20-19(13-18)23-22(17-9-5-2-6-10-17)21(14-25-24(23)28-20)27-15-16-7-3-1-4-8-16/h1-14,26H,15H2
InChIKeyMORGQZLXXVBLBF-UHFFFAOYSA-N
MW367.40 g/mol
LogP5.93
Rot. Bonds4

About 4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol

4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol (PubChem CID 46702565) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is 4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol.

Molecular Properties

Compound Name4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
PubChem CID46702565
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC Name4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESOc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C24H17NO3/c26-18-11-12-20-19(13-18)23-22(17-9-5-2-6-10-17)21(14-25-24(23)28-20)27-15-16-7-3-1-4-8-16/h1-14,26H,15H2
InChIKeyMORGQZLXXVBLBF-UHFFFAOYSA-N
XLogP5.93
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The IUPAC name of 4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol (CID 46702565) is 4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol.
What is the SMILES notation for 4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The canonical SMILES for 4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol is Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1.
What is the InChIKey of 4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The InChIKey is MORGQZLXXVBLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c26-18-11-12-20-19(13-18)23-22(17-9-5-2-6-10-17)21(14-25-24(23)28-20)27-15-16-7-3-1-4-8-16/h1-14,26H,15H2.
What are the key properties of 4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol has a molecular weight of 367.40 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol is sourced from PubChem (CID 46702565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).