2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid

C25H24ClNO7 — CID 57155755

About 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid

2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid (PubChem CID 57155755) has the molecular formula C25H24ClNO7 and a molecular weight of 485.92 g/mol. Its IUPAC name is 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid.

Molecular Properties

• Compound Name: 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid
• PubChem CID: 57155755
• Molecular Formula: C25H24ClNO7
• Molecular Weight: 485.92 g/mol
• Exact Mass: 485.12
• IUPAC Name: 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid
• SMILES: COc1ccc2c(c1)c(CC(=O)OC(C(=O)O)C1CCCO1)c(C)n2C(=O)c1ccc(Cl)cc1
• InChI: InChI=1S/C25H24ClNO7/c1-14-18(13-22(28)34-23(25(30)31)21-4-3-11-33-21)19-12-17(32-2)9-10-20(19)27(14)24(29)15-5-7-16(26)8-6-15/h5-10,12,21,23H,3-4,11,13H2,1-2H3,(H,30,31)
• InChIKey: IDTIIVQDLQNQQS-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 104.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.92
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid?

The IUPAC name of 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid (CID 57155755) is 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid.

What is the SMILES notation for 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid?

The canonical SMILES for 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid is COc1ccc2c(c1)c(CC(=O)OC(C(=O)O)C1CCCO1)c(C)n2C(=O)c1ccc(Cl)cc1.

What is the InChIKey of 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid?

The InChIKey is IDTIIVQDLQNQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO7/c1-14-18(13-22(28)34-23(25(30)31)21-4-3-11-33-21)19-12-17(32-2)9-10-20(19)27(14)24(29)15-5-7-16(26)8-6-15/h5-10,12,21,23H,3-4,11,13H2,1-2H3,(H,30,31).

What are the key properties of 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid?

2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid has a molecular weight of 485.92 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-(oxolan-2-yl)acetic acid is sourced from PubChem (CID 57155755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).