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

C17H11NO3 — CID 51000510

IUPAC4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol
SMILESOc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
InChIKeyXOXWOPNBJDVSJP-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.06
Rot. Bonds1

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

4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol (PubChem CID 51000510) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol.

Molecular Properties

Compound Name4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol
PubChem CID51000510
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol
SMILESOc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
InChIKeyXOXWOPNBJDVSJP-UHFFFAOYSA-N
XLogP4.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[(E)-Pyridin-4-ylmethylimino]-methyl}-6,7,8,9-tetrahydro-dibenzofuran-2-ol
CID 916087
N-[2-(5-Methoxy-2-pyridin-3-ylmethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11088627
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
6-Methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridine
CID 71455067
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
[1]Benzofuro[2,3-b]pyridin-4-ylmethanol
CID 1042736
4-Phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
CID 46702565
Elbfluorene
CID 403993
Benfluorene
CID 403994
4-fluoro-N-(3-methoxybenzyl) benzofuro[2,3-c] pyridine-7-carboxamide
CID 86764448
6-Hydroxy-3-methoxy-4-phenylbenzo[4,3-b]pyridine
CID 406462
1-Aza-9-oxafluorene deriv. 7c
CID 6538869

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol?
The IUPAC name of 4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol (CID 51000510) is 4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol.
What is the SMILES notation for 4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol?
The canonical SMILES for 4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol is Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1.
What is the InChIKey of 4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol?
The InChIKey is XOXWOPNBJDVSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H.
What are the key properties of 4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol?
4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol has a molecular weight of 277.28 g/mol, XLogP of 4.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-[1]benzofuro[2,3-b]pyridine-3,6-diol is sourced from PubChem (CID 51000510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).