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

C27H34FNO4 — CID 145450604

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

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,2,6-trimethyl-1,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 145450604) has the molecular formula C27H34FNO4 and a molecular weight of 455.57 g/mol. Its IUPAC name is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,2,6-trimethyl-1,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,2,6-trimethyl-1,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• PubChem CID: 145450604
• Molecular Formula: C27H34FNO4
• Molecular Weight: 455.57 g/mol
• Exact Mass: 455.25
• IUPAC Name: 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,2,6-trimethyl-1,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
• SMILES: Cc1cc2c(c(-c3cc(F)c4c(c3C)CCCO4)c1C(OC(C)(C)C)C(=O)O)CC(C)(C)N2
• InChI: InChI=1S/C27H34FNO4/c1-14-11-20-18(13-27(6,7)29-20)22(21(14)24(25(30)31)33-26(3,4)5)17-12-19(28)23-16(15(17)2)9-8-10-32-23/h11-12,24,29H,8-10,13H2,1-7H3,(H,30,31)
• InChIKey: VLYUVVWVIDZTSX-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 67.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.57
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,2,6-trimethyl-1,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 145450604) is 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,2,6-trimethyl-1,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

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

The canonical SMILES for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,2,6-trimethyl-1,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1cc2c(c(-c3cc(F)c4c(c3C)CCCO4)c1C(OC(C)(C)C)C(=O)O)CC(C)(C)N2.

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

The InChIKey is VLYUVVWVIDZTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FNO4/c1-14-11-20-18(13-27(6,7)29-20)22(21(14)24(25(30)31)33-26(3,4)5)17-12-19(28)23-16(15(17)2)9-8-10-32-23/h11-12,24,29H,8-10,13H2,1-7H3,(H,30,31).

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

2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,2,6-trimethyl-1,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 455.57 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,2,6-trimethyl-1,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 145450604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).