4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one

C24H27Cl2NO4 — CID 18888624

About 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one

4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one (PubChem CID 18888624) has the molecular formula C24H27Cl2NO4 and a molecular weight of 464.39 g/mol. Its IUPAC name is 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one.

Molecular Properties

• Compound Name: 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
• PubChem CID: 18888624
• Molecular Formula: C24H27Cl2NO4
• Molecular Weight: 464.39 g/mol
• Exact Mass: 463.13
• IUPAC Name: 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
• SMILES: CC(=O)CC1(O)C(=O)N(CCCOc2cc(C)ccc2C(C)C)c2c(Cl)ccc(Cl)c21
• InChI: InChI=1S/C24H27Cl2NO4/c1-14(2)17-7-6-15(3)12-20(17)31-11-5-10-27-22-19(26)9-8-18(25)21(22)24(30,23(27)29)13-16(4)28/h6-9,12,14,30H,5,10-11,13H2,1-4H3
• InChIKey: NQOPXYMZQWDTJB-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 66.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.39
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?

The IUPAC name of 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one (CID 18888624) is 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one.

What is the SMILES notation for 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?

The canonical SMILES for 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one is CC(=O)CC1(O)C(=O)N(CCCOc2cc(C)ccc2C(C)C)c2c(Cl)ccc(Cl)c21.

What is the InChIKey of 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?

The InChIKey is NQOPXYMZQWDTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2NO4/c1-14(2)17-7-6-15(3)12-20(17)31-11-5-10-27-22-19(26)9-8-18(25)21(22)24(30,23(27)29)13-16(4)28/h6-9,12,14,30H,5,10-11,13H2,1-4H3.

What are the key properties of 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one?

4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one has a molecular weight of 464.39 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-dichloro-3-hydroxy-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one is sourced from PubChem (CID 18888624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).