(1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid

C11H12NO5P — CID 11174264

IUPAC(1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H12NO5P/c1-2-17-18(15,16)7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyXXTMBFWAXMEOCD-UHFFFAOYSA-N
MW269.19 g/mol
LogP1.46
Rot. Bonds4

About (1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid

(1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid (PubChem CID 11174264) has the molecular formula C11H12NO5P and a molecular weight of 269.19 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid
PubChem CID11174264
Molecular FormulaC11H12NO5P
Molecular Weight269.19 g/mol
Exact Mass269.05
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid
SMILESCCOP(=O)(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H12NO5P/c1-2-17-18(15,16)7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyXXTMBFWAXMEOCD-UHFFFAOYSA-N
XLogP1.46
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[chloro(ethoxy)phosphoryl]ethyl]isoindole-1,3-dione
CID 102021164
2-(2-diethoxyphosphoryl-2,2-difluoroethyl)isoindole-1,3-dione
CID 86606190
2-(12-diethoxyphosphoryldodecyl)isoindole-1,3-dione
CID 86653412
11-(1,3-dioxoisoindol-2-yl)undecyl-[hydroxy(methyl)phosphoryl]oxyphosphinic acid
CID 91175779
2-[(1R,2S)-1-diethoxyphosphoryl-1-hydroxypropan-2-yl]isoindole-1,3-dione
CID 14711151
2-[4-[ethoxy(iodomethoxy)phosphoryl]-4-hydroxybutyl]isoindole-1,3-dione
CID 90364643
2-(2-ethoxyethoxymethyl)isoindole-1,3-dione
CID 134109727
2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione
CID 132541888
2-(ethylsulfanylmethyl)isoindole-1,3-dione
CID 13458998
2-(4-diethoxyphosphinothioylsulfanylbutyl)isoindole-1,3-dione
CID 25131241
hydron;2-propylisoindole-1,3-dione
CID 174827386
2-[5-[(3-chloro-2-hydroxypropyl)-ethoxyphosphoryl]pentyl]isoindole-1,3-dione
CID 21065212

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid (CID 11174264) is (1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid is CCOP(=O)(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid?
The InChIKey is XXTMBFWAXMEOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO5P/c1-2-17-18(15,16)7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid?
(1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid has a molecular weight of 269.19 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid is sourced from PubChem (CID 11174264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).