3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one

C17H15NO3 — CID 2957318

IUPAC3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one
SMILESO=C(Cc1ccccc1)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C17H15NO3/c19-13(10-12-6-2-1-3-7-12)11-17(21)14-8-4-5-9-15(14)18-16(17)20/h1-9,21H,10-11H2,(H,18,20)
InChIKeyKPGQTQBWQWSWQB-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.03
Rot. Bonds4

About 3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one

3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one (PubChem CID 2957318) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one
PubChem CID2957318
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one
SMILESO=C(Cc1ccccc1)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C17H15NO3/c19-13(10-12-6-2-1-3-7-12)11-17(21)14-8-4-5-9-15(14)18-16(17)20/h1-9,21H,10-11H2,(H,18,20)
InChIKeyKPGQTQBWQWSWQB-UHFFFAOYSA-N
XLogP2.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.03
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-3-phenylpropyl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one (CID 2957318) is 3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one is O=C(Cc1ccccc1)CC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one?
The InChIKey is KPGQTQBWQWSWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-13(10-12-6-2-1-3-7-12)11-17(21)14-8-4-5-9-15(14)18-16(17)20/h1-9,21H,10-11H2,(H,18,20).
What are the key properties of 3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one?
3-hydroxy-3-(2-oxo-3-phenylpropyl)-1H-indol-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.03, 4 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-3-phenylpropyl)-1H-indol-2-one is sourced from PubChem (CID 2957318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).