5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one

C20H15ClNO3P — CID 138968426

IUPAC5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1(O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15ClNO3P/c21-14-11-12-18-17(13-14)20(24,19(23)22-18)26(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,24H,(H,22,23)
InChIKeyQXGHROZYUTWGIR-UHFFFAOYSA-N
MW383.77 g/mol
LogP3.45
Rot. Bonds3

About 5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one

5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one (PubChem CID 138968426) has the molecular formula C20H15ClNO3P and a molecular weight of 383.77 g/mol. Its IUPAC name is 5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one
PubChem CID138968426
Molecular FormulaC20H15ClNO3P
Molecular Weight383.77 g/mol
Exact Mass383.05
IUPAC Name5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(Cl)cc2C1(O)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H15ClNO3P/c21-14-11-12-18-17(13-14)20(24,19(23)22-18)26(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,24H,(H,22,23)
InChIKeyQXGHROZYUTWGIR-UHFFFAOYSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.77
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one (CID 138968426) is 5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one is O=C1Nc2ccc(Cl)cc2C1(O)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one?
The InChIKey is QXGHROZYUTWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClNO3P/c21-14-11-12-18-17(13-14)20(24,19(23)22-18)26(25,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,24H,(H,22,23).
What are the key properties of 5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one?
5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one has a molecular weight of 383.77 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-diphenylphosphoryl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 138968426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).