3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one

C29H24ClNO6 — CID 66523118

About 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one

3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one (PubChem CID 66523118) has the molecular formula C29H24ClNO6 and a molecular weight of 517.97 g/mol. Its IUPAC name is 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one.

Molecular Properties

• Compound Name: 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one
• PubChem CID: 66523118
• Molecular Formula: C29H24ClNO6
• Molecular Weight: 517.97 g/mol
• Exact Mass: 517.13
• IUPAC Name: 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one
• SMILES: COc1ccccc1OCCN1C(=O)C(O)(CC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc21
• InChI: InChI=1S/C29H24ClNO6/c1-35-26-8-4-5-9-27(26)36-17-16-31-22-7-3-2-6-21(22)29(34,28(31)33)18-23(32)25-15-14-24(37-25)19-10-12-20(30)13-11-19/h2-15,34H,16-18H2,1H3
• InChIKey: BCFVCHOVYZBROL-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 89.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.97
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one?

The IUPAC name of 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one (CID 66523118) is 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one.

What is the SMILES notation for 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one?

The canonical SMILES for 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one is COc1ccccc1OCCN1C(=O)C(O)(CC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc21.

What is the InChIKey of 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one?

The InChIKey is BCFVCHOVYZBROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClNO6/c1-35-26-8-4-5-9-27(26)36-17-16-31-22-7-3-2-6-21(22)29(34,28(31)33)18-23(32)25-15-14-24(37-25)19-10-12-20(30)13-11-19/h2-15,34H,16-18H2,1H3.

What are the key properties of 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one?

3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one has a molecular weight of 517.97 g/mol, XLogP of 5.49, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1-[2-(2-methoxyphenoxy)ethyl]indol-2-one is sourced from PubChem (CID 66523118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).