ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate

C18H17NO4 — CID 46706073

IUPACethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C18H17NO4/c1-2-23-16(20)15(12-8-4-3-5-9-12)18(22)13-10-6-7-11-14(13)19-17(18)21/h3-11,15,22H,2H2,1H3,(H,19,21)
InChIKeyXHXQTCMGTGXXQI-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.17
Rot. Bonds4

About ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate

ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate (PubChem CID 46706073) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate
PubChem CID46706073
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Nameethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate
SMILESCCOC(=O)C(c1ccccc1)C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C18H17NO4/c1-2-23-16(20)15(12-8-4-3-5-9-12)18(22)13-10-6-7-11-14(13)19-17(18)21/h3-11,15,22H,2H2,1H3,(H,19,21)
InChIKeyXHXQTCMGTGXXQI-UHFFFAOYSA-N
XLogP2.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate?
The IUPAC name of ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate (CID 46706073) is ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate.
What is the SMILES notation for ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate?
The canonical SMILES for ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate is CCOC(=O)C(c1ccccc1)C1(O)C(=O)Nc2ccccc21.
What is the InChIKey of ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate?
The InChIKey is XHXQTCMGTGXXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-23-16(20)15(12-8-4-3-5-9-12)18(22)13-10-6-7-11-14(13)19-17(18)21/h3-11,15,22H,2H2,1H3,(H,19,21).
What are the key properties of ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate?
ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate has a molecular weight of 311.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-phenylacetate is sourced from PubChem (CID 46706073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).