6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine

C25H19NO3 — CID 71455067

IUPAC6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine
SMILESCOc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyDXUVNKBICOWQOQ-UHFFFAOYSA-N
MW381.43 g/mol
LogP6.24
Rot. Bonds5

About 6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine

6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine (PubChem CID 71455067) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is 6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine
PubChem CID71455067
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine
SMILESCOc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
InChIKeyDXUVNKBICOWQOQ-UHFFFAOYSA-N
XLogP6.24
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Acetyl-6-hydroxy-4-phenylbenzo[4,3-b]pyridine
CID 403993
N-[2-(5-Methoxy-2-pyridin-3-ylmethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11088627
1-(Dibenzo[b,d]furan-2-ylmethyl)-6-(3,5-dimethoxypyridin-4-yl)piperidin-2-one
CID 69082967
6-Hydroxy-3-methoxy-4-phenylbenzo[4,3-b]pyridine
CID 406462
1-Aza-9-oxafluorene deriv. 7c
CID 6538869
1-Aza-9-oxafluorene deriv. 7d
CID 6538870
1-Aza-9-oxafluorene deriv. 7e
CID 6538871
4-Phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol
CID 51000510
12-Phenyl-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene-8,13-diol
CID 71451533
12-Phenyl-13-phenylmethoxy-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-ol
CID 71456868
3-[2-(4-Methoxyphenyl)-1-benzofuran-3-yl]pyridine
CID 145955911
[1]Benzofuro[2,3-b]pyridin-4-ylmethanol
CID 1042736

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine (CID 71455067) is 6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine is COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1.
What is the InChIKey of 6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine?
The InChIKey is DXUVNKBICOWQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3.
What are the key properties of 6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine?
6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine has a molecular weight of 381.43 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 71455067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).