3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one

C17H15NO4 — CID 2925051

IUPAC3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1ccccc1C(=O)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C17H15NO4/c1-22-15-9-5-2-6-11(15)14(19)10-17(21)12-7-3-4-8-13(12)18-16(17)20/h2-9,21H,10H2,1H3,(H,18,20)
InChIKeyLZFXBWHPUUKMBG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.11
Rot. Bonds4

About 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one

3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 2925051) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID2925051
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCOc1ccccc1C(=O)CC1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C17H15NO4/c1-22-15-9-5-2-6-11(15)14(19)10-17(21)12-7-3-4-8-13(12)18-16(17)20/h2-9,21H,10H2,1H3,(H,18,20)
InChIKeyLZFXBWHPUUKMBG-UHFFFAOYSA-N
XLogP2.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one (CID 2925051) is 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is COc1ccccc1C(=O)CC1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is LZFXBWHPUUKMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-22-15-9-5-2-6-11(15)14(19)10-17(21)12-7-3-4-8-13(12)18-16(17)20/h2-9,21H,10H2,1H3,(H,18,20).
What are the key properties of 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one?
3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 2925051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).