1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol

C26H24FNO4 — CID 67012998

About 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol

1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 67012998) has the molecular formula C26H24FNO4 and a molecular weight of 433.48 g/mol. Its IUPAC name is 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

• Compound Name: 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol
• PubChem CID: 67012998
• Molecular Formula: C26H24FNO4
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.17
• IUPAC Name: 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol
• SMILES: OC(CNC1c2ccccc2CC1O)COc1ccc(-c2occ3cc(F)ccc23)cc1
• InChI: InChI=1S/C26H24FNO4/c27-19-7-10-23-18(11-19)14-32-26(23)16-5-8-21(9-6-16)31-15-20(29)13-28-25-22-4-2-1-3-17(22)12-24(25)30/h1-11,14,20,24-25,28-30H,12-13,15H2
• InChIKey: DUNAKWZEQDXPBO-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 74.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol?

The IUPAC name of 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol (CID 67012998) is 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol.

What is the SMILES notation for 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol?

The canonical SMILES for 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol is OC(CNC1c2ccccc2CC1O)COc1ccc(-c2occ3cc(F)ccc23)cc1.

What is the InChIKey of 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol?

The InChIKey is DUNAKWZEQDXPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO4/c27-19-7-10-23-18(11-19)14-32-26(23)16-5-8-21(9-6-16)31-15-20(29)13-28-25-22-4-2-1-3-17(22)12-24(25)30/h1-11,14,20,24-25,28-30H,12-13,15H2.

What are the key properties of 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol?

1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 433.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[4-(5-fluoro-2-benzofuran-1-yl)phenoxy]-2-hydroxypropyl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 67012998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).