3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one

C16H15NO3 — CID 5297649

IUPAC3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one
SMILESCOc1ccccc1C1(O)C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C16H15NO3/c1-10-7-8-13-12(9-10)16(19,15(18)17-13)11-5-3-4-6-14(11)20-2/h3-9,19H,1-2H3,(H,17,18)
InChIKeyZMGGVQFDSUTQAU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.19
Rot. Bonds2

About 3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one

3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one (PubChem CID 5297649) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one
PubChem CID5297649
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one
SMILESCOc1ccccc1C1(O)C(=O)Nc2ccc(C)cc21
InChIInChI=1S/C16H15NO3/c1-10-7-8-13-12(9-10)16(19,15(18)17-13)11-5-3-4-6-14(11)20-2/h3-9,19H,1-2H3,(H,17,18)
InChIKeyZMGGVQFDSUTQAU-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.19
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-methoxyphenyl)-5-methyl-1H-indol-2-one?
The IUPAC name of 3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one (CID 5297649) is 3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one is COc1ccccc1C1(O)C(=O)Nc2ccc(C)cc21.
What is the InChIKey of 3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one?
The InChIKey is ZMGGVQFDSUTQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-7-8-13-12(9-10)16(19,15(18)17-13)11-5-3-4-6-14(11)20-2/h3-9,19H,1-2H3,(H,17,18).
What are the key properties of 3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one?
3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(2-methoxyphenyl)-5-methyl-1H-indol-2-one is sourced from PubChem (CID 5297649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).