3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one

C19H19NO3 — CID 3242879

IUPAC3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
SMILESCc1cc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1C
InChIInChI=1S/C19H19NO3/c1-11-8-13(3)14(9-12(11)2)17(21)10-19(23)15-6-4-5-7-16(15)20-18(19)22/h4-9,23H,10H2,1-3H3,(H,20,22)
InChIKeyUSRORBOLLJWNMP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.02
Rot. Bonds3

About 3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one

3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one (PubChem CID 3242879) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
PubChem CID3242879
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
SMILESCc1cc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1C
InChIInChI=1S/C19H19NO3/c1-11-8-13(3)14(9-12(11)2)17(21)10-19(23)15-6-4-5-7-16(15)20-18(19)22/h4-9,23H,10H2,1-3H3,(H,20,22)
InChIKeyUSRORBOLLJWNMP-UHFFFAOYSA-N
XLogP3.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one (CID 3242879) is 3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one is Cc1cc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1C.
What is the InChIKey of 3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one?
The InChIKey is USRORBOLLJWNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-8-13(3)14(9-12(11)2)17(21)10-19(23)15-6-4-5-7-16(15)20-18(19)22/h4-9,23H,10H2,1-3H3,(H,20,22).
What are the key properties of 3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one?
3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 3242879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).