3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one

C14H20NO5P — CID 2896566

IUPAC3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one
SMILESCC(C)OP(=O)(OC(C)C)C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C14H20NO5P/c1-9(2)19-21(18,20-10(3)4)14(17)11-7-5-6-8-12(11)15-13(14)16/h5-10,17H,1-4H3,(H,15,16)
InChIKeyMTNDFRHQDPGGNR-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.83
Rot. Bonds5

About 3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one

3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one (PubChem CID 2896566) has the molecular formula C14H20NO5P and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one
PubChem CID2896566
Molecular FormulaC14H20NO5P
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one
SMILESCC(C)OP(=O)(OC(C)C)C1(O)C(=O)Nc2ccccc21
InChIInChI=1S/C14H20NO5P/c1-9(2)19-21(18,20-10(3)4)14(17)11-7-5-6-8-12(11)15-13(14)16/h5-10,17H,1-4H3,(H,15,16)
InChIKeyMTNDFRHQDPGGNR-UHFFFAOYSA-N
XLogP2.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one (CID 2896566) is 3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one is CC(C)OP(=O)(OC(C)C)C1(O)C(=O)Nc2ccccc21.
What is the InChIKey of 3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one?
The InChIKey is MTNDFRHQDPGGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO5P/c1-9(2)19-21(18,20-10(3)4)14(17)11-7-5-6-8-12(11)15-13(14)16/h5-10,17H,1-4H3,(H,15,16).
What are the key properties of 3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one?
3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one has a molecular weight of 313.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-di(propan-2-yloxy)phosphoryl-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2896566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).