3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid

C24H28FNO5 — CID 58566379

About 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid

3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid (PubChem CID 58566379) has the molecular formula C24H28FNO5 and a molecular weight of 429.49 g/mol. Its IUPAC name is 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid.

Molecular Properties

• Compound Name: 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid
• PubChem CID: 58566379
• Molecular Formula: C24H28FNO5
• Molecular Weight: 429.49 g/mol
• Exact Mass: 429.20
• IUPAC Name: 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid
• SMILES: COC(=O)N1c2c(COc3ccc(CCC(=O)O)c(C)c3C)cc(F)cc2CC1(C)C
• InChI: InChI=1S/C24H28FNO5/c1-14-15(2)20(8-6-16(14)7-9-21(27)28)31-13-18-11-19(25)10-17-12-24(3,4)26(22(17)18)23(29)30-5/h6,8,10-11H,7,9,12-13H2,1-5H3,(H,27,28)
• InChIKey: AYHOOEILTGGNCT-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 76.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.49
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid?

The IUPAC name of 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid (CID 58566379) is 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid.

What is the SMILES notation for 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid?

The canonical SMILES for 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid is COC(=O)N1c2c(COc3ccc(CCC(=O)O)c(C)c3C)cc(F)cc2CC1(C)C.

What is the InChIKey of 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid?

The InChIKey is AYHOOEILTGGNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO5/c1-14-15(2)20(8-6-16(14)7-9-21(27)28)31-13-18-11-19(25)10-17-12-24(3,4)26(22(17)18)23(29)30-5/h6,8,10-11H,7,9,12-13H2,1-5H3,(H,27,28).

What are the key properties of 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid?

3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid has a molecular weight of 429.49 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(5-fluoro-1-methoxycarbonyl-2,2-dimethyl-3H-indol-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid is sourced from PubChem (CID 58566379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).