2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione

C17H14NO4P — CID 70092565

IUPAC2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione
SMILESO=POCC(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14NO4P/c19-16-14-8-4-5-9-15(14)17(20)18(16)13(11-22-23-21)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2
InChIKeyRXAQCVRWBSBOBY-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.12
Rot. Bonds6

About 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione

2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione (PubChem CID 70092565) has the molecular formula C17H14NO4P and a molecular weight of 327.28 g/mol. Its IUPAC name is 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione
PubChem CID70092565
Molecular FormulaC17H14NO4P
Molecular Weight327.28 g/mol
Exact Mass327.07
IUPAC Name2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione
SMILESO=POCC(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H14NO4P/c19-16-14-8-4-5-9-15(14)17(20)18(16)13(11-22-23-21)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2
InChIKeyRXAQCVRWBSBOBY-UHFFFAOYSA-N
XLogP3.12
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropyl] sulfamate
CID 24761681
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanal
CID 11572698
2-(1-fluoro-5-phenylmethoxypentan-2-yl)isoindole-1,3-dione
CID 14499625
2-[(2S)-3-oxo-4-phenoxy-1-phenylbutan-2-yl]isoindole-1,3-dione
CID 166441785
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 6919275
(2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl chloride
CID 42325650
ethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 830179
2-(1-phenylmethoxybut-3-en-2-yl)isoindole-1,3-dione
CID 14452109
[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-phenylbutyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 23314933
2-[1-(4-phenylphenyl)propan-2-yl]isoindole-1,3-dione
CID 14368628
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4-dimethylpyrrole-2,5-dione
CID 107861517

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione (CID 70092565) is 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione is O=POCC(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione?
The InChIKey is RXAQCVRWBSBOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14NO4P/c19-16-14-8-4-5-9-15(14)17(20)18(16)13(11-22-23-21)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2.
What are the key properties of 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione?
2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione has a molecular weight of 327.28 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyl-3-phosphorosooxypropan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 70092565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).