(3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one

C26H24ClNO3 — CID 41186953

About (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one

(3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one (PubChem CID 41186953) has the molecular formula C26H24ClNO3 and a molecular weight of 433.94 g/mol. Its IUPAC name is (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one.

Molecular Properties

• Compound Name: (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
• PubChem CID: 41186953
• Molecular Formula: C26H24ClNO3
• Molecular Weight: 433.94 g/mol
• Exact Mass: 433.14
• IUPAC Name: (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one
• SMILES: Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c(C)c1
• InChI: InChI=1S/C26H24ClNO3/c1-16-12-17(2)24(18(3)13-16)23(29)14-26(31)21-6-4-5-7-22(21)28(25(26)30)15-19-8-10-20(27)11-9-19/h4-13,31H,14-15H2,1-3H3/t26-/m1/s1
• InChIKey: YQQKNADOCLBCGS-AREMUKBSSA-N
• XLogP: 5.27
• TPSA: 57.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.94
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one?

The IUPAC name of (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one (CID 41186953) is (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one.

What is the SMILES notation for (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one?

The canonical SMILES for (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one is Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c(C)c1.

What is the InChIKey of (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one?

The InChIKey is YQQKNADOCLBCGS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H24ClNO3/c1-16-12-17(2)24(18(3)13-16)23(29)14-26(31)21-6-4-5-7-22(21)28(25(26)30)15-19-8-10-20(27)11-9-19/h4-13,31H,14-15H2,1-3H3/t26-/m1/s1.

What are the key properties of (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one?

(3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one has a molecular weight of 433.94 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]indol-2-one is sourced from PubChem (CID 41186953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).