2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C33H35F2NO5 — CID 145450643

About 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 145450643) has the molecular formula C33H35F2NO5 and a molecular weight of 563.64 g/mol. Its IUPAC name is 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 145450643
• Molecular Formula: C33H35F2NO5
• Molecular Weight: 563.64 g/mol
• Exact Mass: 563.25
• IUPAC Name: 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: CCOc1cccc(F)c1-n1ccc2c(-c3cc(F)c4c(c3C)CCCO4)c(C(OC(C)(C)C)C(=O)O)c(C)cc21
• InChI: InChI=1S/C33H35F2NO5/c1-7-39-26-12-8-11-23(34)29(26)36-14-13-21-25(36)16-18(2)27(31(32(37)38)41-33(4,5)6)28(21)22-17-24(35)30-20(19(22)3)10-9-15-40-30/h8,11-14,16-17,31H,7,9-10,15H2,1-6H3,(H,37,38)
• InChIKey: HFJGAVCOJMYXCB-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 69.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.64
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The IUPAC name of 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 145450643) is 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

What is the SMILES notation for 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The canonical SMILES for 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is CCOc1cccc(F)c1-n1ccc2c(-c3cc(F)c4c(c3C)CCCO4)c(C(OC(C)(C)C)C(=O)O)c(C)cc21.

What is the InChIKey of 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

The InChIKey is HFJGAVCOJMYXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F2NO5/c1-7-39-26-12-8-11-23(34)29(26)36-14-13-21-25(36)16-18(2)27(31(32(37)38)41-33(4,5)6)28(21)22-17-24(35)30-20(19(22)3)10-9-15-40-30/h8,11-14,16-17,31H,7,9-10,15H2,1-6H3,(H,37,38).

What are the key properties of 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?

2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 563.64 g/mol, XLogP of 7.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-ethoxy-6-fluorophenyl)-4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-6-methylindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 145450643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).