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

C27H25FO6 — CID 90175256

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

methyl 2-[6-[[(1R)-7-fluoro-4-(4-methoxyphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate (PubChem CID 90175256) has the molecular formula C27H25FO6 and a molecular weight of 464.49 g/mol. Its IUPAC name is methyl 2-[6-[[(1R)-7-fluoro-4-(4-methoxyphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[6-[[(1R)-7-fluoro-4-(4-methoxyphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
• PubChem CID: 90175256
• Molecular Formula: C27H25FO6
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.16
• IUPAC Name: methyl 2-[6-[[(1R)-7-fluoro-4-(4-methoxyphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate
• SMILES: COC(=O)CC1COc2cc(O[C@@H]3CCc4c(Oc5ccc(OC)cc5)ccc(F)c43)ccc21
• InChI: InChI=1S/C27H25FO6/c1-30-17-3-5-18(6-4-17)33-23-12-10-22(28)27-21(23)9-11-24(27)34-19-7-8-20-16(13-26(29)31-2)15-32-25(20)14-19/h3-8,10,12,14,16,24H,9,11,13,15H2,1-2H3/t16?,24-/m1/s1
• InChIKey: IJZHOUYJFZVOBG-OODIQHKMSA-N
• XLogP: 5.73
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of methyl 2-[6-[[(1R)-7-fluoro-4-(4-methoxyphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate (CID 90175256) is methyl 2-[6-[[(1R)-7-fluoro-4-(4-methoxyphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate.

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

The canonical SMILES for methyl 2-[6-[[(1R)-7-fluoro-4-(4-methoxyphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate is COC(=O)CC1COc2cc(O[C@@H]3CCc4c(Oc5ccc(OC)cc5)ccc(F)c43)ccc21.

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

The InChIKey is IJZHOUYJFZVOBG-OODIQHKMSA-N. The full InChI is InChI=1S/C27H25FO6/c1-30-17-3-5-18(6-4-17)33-23-12-10-22(28)27-21(23)9-11-24(27)34-19-7-8-20-16(13-26(29)31-2)15-32-25(20)14-19/h3-8,10,12,14,16,24H,9,11,13,15H2,1-2H3/t16?,24-/m1/s1.

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

methyl 2-[6-[[(1R)-7-fluoro-4-(4-methoxyphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate has a molecular weight of 464.49 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[6-[[(1R)-7-fluoro-4-(4-methoxyphenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetate is sourced from PubChem (CID 90175256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).