(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene

C119H150F10N2O20S2 — CID 158945871

About (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene

(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene (PubChem CID 158945871) has the molecular formula C119H150F10N2O20S2 and a molecular weight of 2182.62 g/mol. Its IUPAC name is (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene.

Molecular Properties

• Compound Name: (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene
• PubChem CID: 158945871
• Molecular Formula: C119H150F10N2O20S2
• Molecular Weight: 2182.62 g/mol
• Exact Mass: 2181.01
• IUPAC Name: (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene
• SMILES: CC(C)(C)O[C@@H]1CCc2c(OC(F)(F)F)cccc21.CC(C)(C)O[C@@H]1CCc2c1cc(F)cc2C(F)(F)F.CC(C)(C)O[C@@H]1COc2c(OC(F)(F)F)cccc21.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C.Cc1ccc(Oc2cccc3c2OC[C@H]3OC(C)(C)C)cn1.Cc1cccc2c1CC[C@H]2OC(C)(C)C.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1cccc2c1OC[C@H]2OC(C)(C)C
• InChI: InChI=1S/C24H32O5S.C22H29NO5S.C18H21NO3.C14H16F4O.C14H17F3O2.C14H20O.C13H15F3O3/c1-16-13-18(27-11-8-12-30(6,25)26)14-17(2)22(16)20-10-7-9-19-21(15-28-23(19)20)29-24(3,4)5;1-15-16(10-11-20(23-15)26-12-7-13-29(5,24)25)17-8-6-9-18-19(14-27-21(17)18)28-22(2,3)4;1-12-8-9-13(10-19-12)21-15-7-5-6-14-16(11-20-17(14)15)22-18(2,3)4;1-13(2,3)19-12-5-4-9-10(12)6-8(15)7-11(9)14(16,17)18;1-13(2,3)18-12-8-7-10-9(12)5-4-6-11(10)19-14(15,16)17;1-10-6-5-7-12-11(10)8-9-13(12)15-14(2,3)4;1-12(2,3)18-10-7-17-11-8(10)5-4-6-9(11)19-13(14,15)16/h7,9-10,13-14,21H,8,11-12,15H2,1-6H3;6,8-11,19H,7,12-14H2,1-5H3;5-10,16H,11H2,1-4H3;6-7,12H,4-5H2,1-3H3;4-6,12H,7-8H2,1-3H3;5-7,13H,8-9H2,1-4H3;4-6,10H,7H2,1-3H3/t21-;19-;16-;2*12-;13-;10-/m1111111/s1
• InChIKey: JKUVWBOTHOPSBN-KWDYHDBDSA-N
• XLogP: 30.25
• TPSA: 241.74 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2182.62
LogP ≤ 5	30.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene?

The IUPAC name of (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene (CID 158945871) is (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene.

What is the SMILES notation for (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene?

The canonical SMILES for (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene is CC(C)(C)O[C@@H]1CCc2c(OC(F)(F)F)cccc21.CC(C)(C)O[C@@H]1CCc2c1cc(F)cc2C(F)(F)F.CC(C)(C)O[C@@H]1COc2c(OC(F)(F)F)cccc21.Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc2c1OC[C@H]2OC(C)(C)C.Cc1ccc(Oc2cccc3c2OC[C@H]3OC(C)(C)C)cn1.Cc1cccc2c1CC[C@H]2OC(C)(C)C.Cc1nc(OCCCS(C)(=O)=O)ccc1-c1cccc2c1OC[C@H]2OC(C)(C)C.

What is the InChIKey of (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene?

The InChIKey is JKUVWBOTHOPSBN-KWDYHDBDSA-N. The full InChI is InChI=1S/C24H32O5S.C22H29NO5S.C18H21NO3.C14H16F4O.C14H17F3O2.C14H20O.C13H15F3O3/c1-16-13-18(27-11-8-12-30(6,25)26)14-17(2)22(16)20-10-7-9-19-21(15-28-23(19)20)29-24(3,4)5;1-15-16(10-11-20(23-15)26-12-7-13-29(5,24)25)17-8-6-9-18-19(14-27-21(17)18)28-22(2,3)4;1-12-8-9-13(10-19-12)21-15-7-5-6-14-16(11-20-17(14)15)22-18(2,3)4;1-13(2,3)19-12-5-4-9-10(12)6-8(15)7-11(9)14(16,17)18;1-13(2,3)18-12-8-7-10-9(12)5-4-6-11(10)19-14(15,16)17;1-10-6-5-7-12-11(10)8-9-13(12)15-14(2,3)4;1-12(2,3)18-10-7-17-11-8(10)5-4-6-9(11)19-13(14,15)16/h7,9-10,13-14,21H,8,11-12,15H2,1-6H3;6,8-11,19H,7,12-14H2,1-5H3;5-10,16H,11H2,1-4H3;6-7,12H,4-5H2,1-3H3;4-6,12H,7-8H2,1-3H3;5-7,13H,8-9H2,1-4H3;4-6,10H,7H2,1-3H3/t21-;19-;16-;2*12-;13-;10-/m1111111/s1.

What are the key properties of (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene?

(3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene has a molecular weight of 2182.62 g/mol, XLogP of 30.25, 23 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-7-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran;(1R)-6-fluoro-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)-2,3-dihydro-1H-indene;2-methyl-3-[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylsulfonylpropoxy)pyridine;2-methyl-5-[[(3S)-3-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-7-yl]oxy]pyridine;(1R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1H-indene;(3S)-3-[(2-methylpropan-2-yl)oxy]-7-(trifluoromethoxy)-2,3-dihydro-1-benzofuran;(1R)-1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethoxy)-2,3-dihydro-1H-indene is sourced from PubChem (CID 158945871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).