3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one

C16H15NO3 — CID 83036799

IUPAC3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one
SMILESCCOc1cccc(C2(O)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H15NO3/c1-2-20-12-7-5-6-11(10-12)16(19)13-8-3-4-9-14(13)17-15(16)18/h3-10,19H,2H2,1H3,(H,17,18)
InChIKeyGKLMDOOWHMJRDG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.27
Rot. Bonds3

About 3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one

3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one (PubChem CID 83036799) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one
PubChem CID83036799
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one
SMILESCCOc1cccc(C2(O)C(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H15NO3/c1-2-20-12-7-5-6-11(10-12)16(19)13-8-3-4-9-14(13)17-15(16)18/h3-10,19H,2H2,1H3,(H,17,18)
InChIKeyGKLMDOOWHMJRDG-UHFFFAOYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one (CID 83036799) is 3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one is CCOc1cccc(C2(O)C(=O)Nc3ccccc32)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one?
The InChIKey is GKLMDOOWHMJRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-20-12-7-5-6-11(10-12)16(19)13-8-3-4-9-14(13)17-15(16)18/h3-10,19H,2H2,1H3,(H,17,18).
What are the key properties of 3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one?
3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 83036799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).