2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol

C25H24FNO4 — CID 123692094

About 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol

2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol (PubChem CID 123692094) has the molecular formula C25H24FNO4 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol.

Molecular Properties

• Compound Name: 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol
• PubChem CID: 123692094
• Molecular Formula: C25H24FNO4
• Molecular Weight: 421.47 g/mol
• Exact Mass: 421.17
• IUPAC Name: 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol
• SMILES: Cc1cccc(Oc2ccc(F)c3c2CCC3Oc2ccc3c(c2)OCC3CCO)n1
• InChI: InChI=1S/C25H24FNO4/c1-15-3-2-4-24(27-15)31-21-10-8-20(26)25-19(21)7-9-22(25)30-17-5-6-18-16(11-12-28)14-29-23(18)13-17/h2-6,8,10,13,16,22,28H,7,9,11-12,14H2,1H3
• InChIKey: JNRBOIUSMQPQFP-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 60.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.47
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol?

The IUPAC name of 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol (CID 123692094) is 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol.

What is the SMILES notation for 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol?

The canonical SMILES for 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol is Cc1cccc(Oc2ccc(F)c3c2CCC3Oc2ccc3c(c2)OCC3CCO)n1.

What is the InChIKey of 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol?

The InChIKey is JNRBOIUSMQPQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO4/c1-15-3-2-4-24(27-15)31-21-10-8-20(26)25-19(21)7-9-22(25)30-17-5-6-18-16(11-12-28)14-29-23(18)13-17/h2-6,8,10,13,16,22,28H,7,9,11-12,14H2,1H3.

What are the key properties of 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol?

2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol has a molecular weight of 421.47 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[7-fluoro-4-[(6-methyl-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]ethanol is sourced from PubChem (CID 123692094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).