5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol

C26H21NO5 — CID 90667795

IUPAC5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESCOc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c(OC)c1O
InChIInChI=1S/C26H21NO5/c1-29-19-13-18-22(25(30-2)24(19)28)23-21(17-11-7-4-8-12-17)20(14-27-26(23)32-18)31-15-16-9-5-3-6-10-16/h3-14,28H,15H2,1-2H3
InChIKeyHLJNRECMYVCUOE-UHFFFAOYSA-N
MW427.46 g/mol
LogP5.95
Rot. Bonds6

About 5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol

5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol (PubChem CID 90667795) has the molecular formula C26H21NO5 and a molecular weight of 427.46 g/mol. Its IUPAC name is 5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol.

Molecular Properties

Compound Name5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
PubChem CID90667795
Molecular FormulaC26H21NO5
Molecular Weight427.46 g/mol
Exact Mass427.14
IUPAC Name5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESCOc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c(OC)c1O
InChIInChI=1S/C26H21NO5/c1-29-19-13-18-22(25(30-2)24(19)28)23-21(17-11-7-4-8-12-17)20(14-27-26(23)32-18)31-15-16-9-5-3-6-10-16/h3-14,28H,15H2,1-2H3
InChIKeyHLJNRECMYVCUOE-UHFFFAOYSA-N
XLogP5.95
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.46
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The IUPAC name of 5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol (CID 90667795) is 5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol.
What is the SMILES notation for 5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The canonical SMILES for 5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol is COc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c(OC)c1O.
What is the InChIKey of 5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The InChIKey is HLJNRECMYVCUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO5/c1-29-19-13-18-22(25(30-2)24(19)28)23-21(17-11-7-4-8-12-17)20(14-27-26(23)32-18)31-15-16-9-5-3-6-10-16/h3-14,28H,15H2,1-2H3.
What are the key properties of 5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol has a molecular weight of 427.46 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol is sourced from PubChem (CID 90667795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).