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

C25H19NO3 — CID 71456867

IUPAC7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESCc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O
InChIInChI=1S/C25H19NO3/c1-16-12-21-19(13-20(16)27)24-23(18-10-6-3-7-11-18)22(14-26-25(24)29-21)28-15-17-8-4-2-5-9-17/h2-14,27H,15H2,1H3
InChIKeyCJWAJDFFNKNLST-UHFFFAOYSA-N
MW381.43 g/mol
LogP6.24
Rot. Bonds4

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

7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol (PubChem CID 71456867) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is 7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol.

Molecular Properties

Compound Name7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
PubChem CID71456867
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Name7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESCc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O
InChIInChI=1S/C25H19NO3/c1-16-12-21-19(13-20(16)27)24-23(18-10-6-3-7-11-18)22(14-26-25(24)29-21)28-15-17-8-4-2-5-9-17/h2-14,27H,15H2,1H3
InChIKeyCJWAJDFFNKNLST-UHFFFAOYSA-N
XLogP6.24
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Acetyl-6-hydroxy-4-phenylbenzo[4,3-b]pyridine
CID 403993
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
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
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

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The IUPAC name of 7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol (CID 71456867) is 7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol.
What is the SMILES notation for 7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The canonical SMILES for 7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol is Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O.
What is the InChIKey of 7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
The InChIKey is CJWAJDFFNKNLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c1-16-12-21-19(13-20(16)27)24-23(18-10-6-3-7-11-18)22(14-26-25(24)29-21)28-15-17-8-4-2-5-9-17/h2-14,27H,15H2,1H3.
What are the key properties of 7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol?
7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol has a molecular weight of 381.43 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol is sourced from PubChem (CID 71456867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).