[3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate

C18H17N2O7P — CID 2896371

IUPAC[3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate
SMILESCOP(=O)(OC)OC1(C2(O)C(=O)Nc3ccccc32)C(=O)Nc2ccccc21
InChIInChI=1S/C18H17N2O7P/c1-25-28(24,26-2)27-18(12-8-4-6-10-14(12)20-16(18)22)17(23)11-7-3-5-9-13(11)19-15(17)21/h3-10,23H,1-2H3,(H,19,21)(H,20,22)
InChIKeyYWQSGOXQGUYRGX-UHFFFAOYSA-N
MW404.32 g/mol
LogP2.09
Rot. Bonds5

About [3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate

[3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate (PubChem CID 2896371) has the molecular formula C18H17N2O7P and a molecular weight of 404.32 g/mol. Its IUPAC name is [3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate.

Molecular Properties

Compound Name[3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate
PubChem CID2896371
Molecular FormulaC18H17N2O7P
Molecular Weight404.32 g/mol
Exact Mass404.08
IUPAC Name[3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate
SMILESCOP(=O)(OC)OC1(C2(O)C(=O)Nc3ccccc32)C(=O)Nc2ccccc21
InChIInChI=1S/C18H17N2O7P/c1-25-28(24,26-2)27-18(12-8-4-6-10-14(12)20-16(18)22)17(23)11-7-3-5-9-13(11)19-15(17)21/h3-10,23H,1-2H3,(H,19,21)(H,20,22)
InChIKeyYWQSGOXQGUYRGX-UHFFFAOYSA-N
XLogP2.09
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate?
The IUPAC name of [3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate (CID 2896371) is [3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate.
What is the SMILES notation for [3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate?
The canonical SMILES for [3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate is COP(=O)(OC)OC1(C2(O)C(=O)Nc3ccccc32)C(=O)Nc2ccccc21.
What is the InChIKey of [3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate?
The InChIKey is YWQSGOXQGUYRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2O7P/c1-25-28(24,26-2)27-18(12-8-4-6-10-14(12)20-16(18)22)17(23)11-7-3-5-9-13(11)19-15(17)21/h3-10,23H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of [3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate?
[3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate has a molecular weight of 404.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hydroxy-2-oxo-1H-indol-3-yl)-2-oxo-1H-indol-3-yl] dimethyl phosphate is sourced from PubChem (CID 2896371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).