4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol

C28H20N2O3 — CID 135839297

IUPAC4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol
SMILESOc1ccc(-c2ccc3c(-c4cc5ccccc5o4)n[nH]c3c2)cc1OCc1ccccc1
InChIInChI=1S/C28H20N2O3/c31-24-13-11-20(15-26(24)32-17-18-6-2-1-3-7-18)19-10-12-22-23(14-19)29-30-28(22)27-16-21-8-4-5-9-25(21)33-27/h1-16,31H,17H2,(H,29,30)
InChIKeyLLQJQIUCOJTVRD-UHFFFAOYSA-N
MW432.48 g/mol
LogP6.93
Rot. Bonds5

About 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol

4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol (PubChem CID 135839297) has the molecular formula C28H20N2O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol.

Molecular Properties

Compound Name4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol
PubChem CID135839297
Molecular FormulaC28H20N2O3
Molecular Weight432.48 g/mol
Exact Mass432.15
IUPAC Name4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol
SMILESOc1ccc(-c2ccc3c(-c4cc5ccccc5o4)n[nH]c3c2)cc1OCc1ccccc1
InChIInChI=1S/C28H20N2O3/c31-24-13-11-20(15-26(24)32-17-18-6-2-1-3-7-18)19-10-12-22-23(14-19)29-30-28(22)27-16-21-8-4-5-9-25(21)33-27/h1-16,31H,17H2,(H,29,30)
InChIKeyLLQJQIUCOJTVRD-UHFFFAOYSA-N
XLogP6.93
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol?
The IUPAC name of 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol (CID 135839297) is 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol.
What is the SMILES notation for 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol?
The canonical SMILES for 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol is Oc1ccc(-c2ccc3c(-c4cc5ccccc5o4)n[nH]c3c2)cc1OCc1ccccc1.
What is the InChIKey of 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol?
The InChIKey is LLQJQIUCOJTVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O3/c31-24-13-11-20(15-26(24)32-17-18-6-2-1-3-7-18)19-10-12-22-23(14-19)29-30-28(22)27-16-21-8-4-5-9-25(21)33-27/h1-16,31H,17H2,(H,29,30).
What are the key properties of 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol?
4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol has a molecular weight of 432.48 g/mol, XLogP of 6.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzofuran-2-yl)-1H-indazol-6-yl]-2-phenylmethoxyphenol is sourced from PubChem (CID 135839297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).